3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one

C9H13NO — CID 10725527

IUPAC3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one
SMILESCC12CCN=C1CCC(=O)C2
InChIInChI=1S/C9H13NO/c1-9-4-5-10-8(9)3-2-7(11)6-9/h2-6H2,1H3
InChIKeyHRZRWMCMBHKPGB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.59
Rot. Bonds

About 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one

3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one (PubChem CID 10725527) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one.

Molecular Properties

Compound Name3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one
PubChem CID10725527
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one
SMILESCC12CCN=C1CCC(=O)C2
InChIInChI=1S/C9H13NO/c1-9-4-5-10-8(9)3-2-7(11)6-9/h2-6H2,1H3
InChIKeyHRZRWMCMBHKPGB-UHFFFAOYSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azabicyclo[4,3,0]nonen-8-one
CID 129696945
2,6,6-Trimethyl-2,3a,5,7-tetrahydroindole-3,4-dione
CID 90667889
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
(3aR,7aS)-3-(2,2-dimethylpropanoyl)-1,3a,5,6,7,7a-hexahydroisoindol-4-one
CID 134901569
(2aR,8aS)-2a,3,5,6,7,8-hexahydro-2H-cyclobuta[c]indol-1-one
CID 134988684
1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
2-(3,4-dihydro-2H-pyrrol-5-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 7305867
5,5-dimethyl-2-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)cyclohexane-1,3-dione
CID 53782921
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
CID 54291385
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one?
The IUPAC name of 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one (CID 10725527) is 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one.
What is the SMILES notation for 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one?
The canonical SMILES for 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one is CC12CCN=C1CCC(=O)C2.
What is the InChIKey of 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one?
The InChIKey is HRZRWMCMBHKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9-4-5-10-8(9)3-2-7(11)6-9/h2-6H2,1H3.
What are the key properties of 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one?
3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one has a molecular weight of 151.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-3,4,6,7-tetrahydro-2H-indol-5-one is sourced from PubChem (CID 10725527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).