1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane

C84H143N3O3S — CID 160654446

IUPAC1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)OCO2.c1cnc2c(c1)CCC2
InChIInChI=1S/C9H10.3C8H9N.C8H8O.C8H8S.C7H6O2.14C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;14*1-2/h1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-4H,5H2;14*1-2H3
InChIKeyRKWAAFRSHCGFST-UHFFFAOYSA-N
MW1275.15 g/mol
LogP26.71
Rot. Bonds

About 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane

1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane (PubChem CID 160654446) has the molecular formula C84H143N3O3S and a molecular weight of 1275.15 g/mol. Its IUPAC name is 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane.

Molecular Properties

Compound Name1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane
PubChem CID160654446
Molecular FormulaC84H143N3O3S
Molecular Weight1275.15 g/mol
Exact Mass1274.09
IUPAC Name1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)OCO2.c1cnc2c(c1)CCC2
InChIInChI=1S/C9H10.3C8H9N.C8H8O.C8H8S.C7H6O2.14C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;14*1-2/h1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-4H,5H2;14*1-2H3
InChIKeyRKWAAFRSHCGFST-UHFFFAOYSA-N
XLogP26.71
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.15
LogP ≤ 526.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;ethane;1H-indazole;naphthalene;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157571720
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;naphthalene;1,2,3,4-tetrahydroisoquinoline;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
CID 158153024
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,3,3a,7a-tetrahydro-1H-indene;2,3,3a,7a-tetrahydroinden-1-one;2,3,3a,7a-tetrahydro-1H-indole;1,3-benzodioxole;bicyclo[4.2.0]octane;bicyclo[4.2.0]oct-7-ene;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1H-indene;3H-indole;naphthalene;quinoline;1,2,3,4-tetrahydronaphthalene
CID 158359862
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;naphthalene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
CID 158443956
1,3-benzodioxole;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;ethane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
CID 158465584
1,3-benzodioxole;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
CID 158471358
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,2,3,4-tetrahydroisoquinoline;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
CID 158652779
1,4-benzodioxine;1,3-benzodioxole;2H-chromene;5H-cyclopenta[b]pyridine;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indole;1H-indene;methane
CID 159364160
1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;ethane;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160410021
1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indole;bis(3,4-dihydro-1H-isochromene);bis(3,4-dihydro-1H-isothiochromene);3,4-dihydro-2H-thiochromene;ethane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
CID 160515154
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;quinoline;1,2,3,4-tetrahydroisoquinoline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 160721711
2,3-dihydro-1,4-benzodioxine;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;3,4-dihydro-2H-thiochromene;methane;4,5,6,7-tetrahydro-1-benzothiophene;1,2,3,4-tetrahydronaphthalene;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;2,4,6,7-tetrahydropyrano[4,3-b]pyrrole
CID 161256585

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane?
The IUPAC name of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane (CID 160654446) is 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane.
What is the SMILES notation for 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane?
The canonical SMILES for 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)OCO2.c1cnc2c(c1)CCC2.
What is the InChIKey of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane?
The InChIKey is RKWAAFRSHCGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.3C8H9N.C8H8O.C8H8S.C7H6O2.14C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;14*1-2/h1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;4-6H,1-3H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-4H,5H2;14*1-2H3.
What are the key properties of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane?
1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane has a molecular weight of 1275.15 g/mol, XLogP of 26.71, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane is sourced from PubChem (CID 160654446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).