1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole

C20H21NO — CID 102529877

IUPAC1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole
SMILESCCC1OC(c2ccccc2)Cc2c1n(C)c1ccccc21
InChIInChI=1S/C20H21NO/c1-3-18-20-16(15-11-7-8-12-17(15)21(20)2)13-19(22-18)14-9-5-4-6-10-14/h4-12,18-19H,3,13H2,1-2H3
InChIKeyAFJYDUISPSVMBW-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.94
Rot. Bonds2

About 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole

1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole (PubChem CID 102529877) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole.

Molecular Properties

Compound Name1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole
PubChem CID102529877
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole
SMILESCCC1OC(c2ccccc2)Cc2c1n(C)c1ccccc21
InChIInChI=1S/C20H21NO/c1-3-18-20-16(15-11-7-8-12-17(15)21(20)2)13-19(22-18)14-9-5-4-6-10-14/h4-12,18-19H,3,13H2,1-2H3
InChIKeyAFJYDUISPSVMBW-UHFFFAOYSA-N
XLogP4.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 15496458
(1,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 142650325
(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
CID 23327272
(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole
CID 102190403
(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine
CID 10012771
3-amino-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 117110603
(1R,12S,15R)-3-methyl-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-ol
CID 155294428
1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58793158
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 23242606
1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099
(1S,12S,13R,17S,18R)-20-benzyl-17-ethyl-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-ol
CID 11796190
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole?
The IUPAC name of 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole (CID 102529877) is 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole.
What is the SMILES notation for 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole?
The canonical SMILES for 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole is CCC1OC(c2ccccc2)Cc2c1n(C)c1ccccc21.
What is the InChIKey of 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole?
The InChIKey is AFJYDUISPSVMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-3-18-20-16(15-11-7-8-12-17(15)21(20)2)13-19(22-18)14-9-5-4-6-10-14/h4-12,18-19H,3,13H2,1-2H3.
What are the key properties of 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole?
1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole has a molecular weight of 291.39 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole is sourced from PubChem (CID 102529877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).