5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one

C13H15NO — CID 131876341

IUPAC5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one
SMILESO=C1CCCCC2c3ccccc3NC12
InChIInChI=1S/C13H15NO/c15-12-8-4-2-6-10-9-5-1-3-7-11(9)14-13(10)12/h1,3,5,7,10,13-14H,2,4,6,8H2
InChIKeyGFGYKVVBYNFMOY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds

About 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one

5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one (PubChem CID 131876341) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one.

Molecular Properties

Compound Name5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one
PubChem CID131876341
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one
SMILESO=C1CCCCC2c3ccccc3NC12
InChIInChI=1S/C13H15NO/c15-12-8-4-2-6-10-9-5-1-3-7-11(9)14-13(10)12/h1,3,5,7,10,13-14H,2,4,6,8H2
InChIKeyGFGYKVVBYNFMOY-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
CID 90281446
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
(2R)-2-[(1R)-2-oxocyclopentyl]-4H-1,4-benzothiazin-3-one
CID 2443133
2-(2-cyclobutylphenyl)cyclohexan-1-one
CID 114605762
2-[2-(methylamino)benzoyl]-2,3,4,4a,9,9a-hexahydrocarbazol-1-one
CID 162998169
2-(2-cyclobutylphenyl)cycloheptan-1-one
CID 114605768
tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
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(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
(10aS)-7-methyl-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 129109613
2-(4-fluorobenzoyl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indol-1-one
CID 70895057

Frequently Asked Questions

What is the IUPAC name of 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one?
The IUPAC name of 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one (CID 131876341) is 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one.
What is the SMILES notation for 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one?
The canonical SMILES for 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one is O=C1CCCCC2c3ccccc3NC12.
What is the InChIKey of 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one?
The InChIKey is GFGYKVVBYNFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-12-8-4-2-6-10-9-5-1-3-7-11(9)14-13(10)12/h1,3,5,7,10,13-14H,2,4,6,8H2.
What are the key properties of 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one?
5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one has a molecular weight of 201.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,7,8,9,10,10a-hexahydro-5H-cyclohepta[b]indol-6-one is sourced from PubChem (CID 131876341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).