2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline

C138H194N4O4 — CID 158962936

IUPAC2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C1=Cc2ccccc2CC1.C1=Cc2ccccc2CCC1.C1=Cc2ccccc2NC1.C1=Cc2ccccc2OC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2
InChIInChI=1S/C11H14.C11H12.C10H13N.C10H12O.C10H12.C10H10.C9H11N.C9H9N.C9H11N.C9H10O.C9H8O.C9H10O.C9H10.13CH4/c2*1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;;;;;;;;;;;;;/h4-5,8-9H,1-3,6-7H2;2,4-6,8-9H,1,3,7H2;1-2,5,7,11H,3-4,6,8H2;1-2,5,7H,3-4,6,8H2;1-2,5-6H,3-4,7-8H2;1-3,5-7H,4,8H2;1-2,4,6,10H,3,5,7H2;1-6,10H,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-6H,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;13*1H4
InChIKeyJMVQPZTXMSAEPF-UHFFFAOYSA-N
MW1973.09 g/mol
LogP37.85
Rot. Bonds

About 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline

2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline (PubChem CID 158962936) has the molecular formula C138H194N4O4 and a molecular weight of 1973.09 g/mol. Its IUPAC name is 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
PubChem CID158962936
Molecular FormulaC138H194N4O4
Molecular Weight1973.09 g/mol
Exact Mass1971.51
IUPAC Name2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C1=Cc2ccccc2CC1.C1=Cc2ccccc2CCC1.C1=Cc2ccccc2NC1.C1=Cc2ccccc2OC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2
InChIInChI=1S/C11H14.C11H12.C10H13N.C10H12O.C10H12.C10H10.C9H11N.C9H9N.C9H11N.C9H10O.C9H8O.C9H10O.C9H10.13CH4/c2*1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;;;;;;;;;;;;;/h4-5,8-9H,1-3,6-7H2;2,4-6,8-9H,1,3,7H2;1-2,5,7,11H,3-4,6,8H2;1-2,5,7H,3-4,6,8H2;1-2,5-6H,3-4,7-8H2;1-3,5-7H,4,8H2;1-2,4,6,10H,3,5,7H2;1-6,10H,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-6H,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;13*1H4
InChIKeyJMVQPZTXMSAEPF-UHFFFAOYSA-N
XLogP37.85
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001973.09
LogP ≤ 537.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
CID 70269845
2,3-Dihydro-1,4-benzodioxine;1-methyl-2-(2-methylbut-1-enoxy)benzene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
CID 143091036
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
CID 157157040
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine;5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 157368182
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 157502970
3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;ethane;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 158165087
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;but-2-yne;(E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylbut-2-en-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine;tetrahydrate;dihydrochloride
CID 158368491
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine;N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
CID 159176705
11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)
CID 159197057
3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 159311728
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
CID 159475988
3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene
CID 161167997

Frequently Asked Questions

What is the IUPAC name of 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline (CID 158962936) is 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline is C.C.C.C.C.C.C.C.C.C.C.C.C.C1=Cc2ccccc2CC1.C1=Cc2ccccc2CCC1.C1=Cc2ccccc2NC1.C1=Cc2ccccc2OC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.
What is the InChIKey of 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?
The InChIKey is JMVQPZTXMSAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C11H12.C10H13N.C10H12O.C10H12.C10H10.C9H11N.C9H9N.C9H11N.C9H10O.C9H8O.C9H10O.C9H10.13CH4/c2*1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;;;;;;;;;;;;;/h4-5,8-9H,1-3,6-7H2;2,4-6,8-9H,1,3,7H2;1-2,5,7,11H,3-4,6,8H2;1-2,5,7H,3-4,6,8H2;1-2,5-6H,3-4,7-8H2;1-3,5-7H,4,8H2;1-2,4,6,10H,3,5,7H2;1-6,10H,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-6H,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;13*1H4.
What are the key properties of 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?
2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline has a molecular weight of 1973.09 g/mol, XLogP of 37.85, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;8,9-dihydro-7H-benzo[7]annulene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2-dihydronaphthalene;1,2-dihydroquinoline;methane;2,3,4,5-tetrahydro-1H-1-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158962936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).