6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one

C14H23NO — CID 167103883

IUPAC6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one
SMILESCC1CC(C)N2C(CC3CCCCC32)C1=O
InChIInChI=1S/C14H23NO/c1-9-7-10(2)15-12-6-4-3-5-11(12)8-13(15)14(9)16/h9-13H,3-8H2,1-2H3
InChIKeyWIIVBUITTZOOPE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.62
Rot. Bonds

About 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one

6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one (PubChem CID 167103883) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one.

Molecular Properties

Compound Name6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one
PubChem CID167103883
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one
SMILESCC1CC(C)N2C(CC3CCCCC32)C1=O
InChIInChI=1S/C14H23NO/c1-9-7-10(2)15-12-6-4-3-5-11(12)8-13(15)14(9)16/h9-13H,3-8H2,1-2H3
InChIKeyWIIVBUITTZOOPE-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one with MolForge

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Related Compounds

(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 129452746
2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-amine
CID 171651783
(1S,3aR,4aS,8aS)-1-(trichloromethyl)-3a,4,4a,5,6,7,8,8a-octahydro-1H-[1,3]oxazolo[3,4-a]indol-3-one
CID 24853842
2-methyl-2,3a,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulene-3,4-dione
CID 15499466
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
(2S,3aS,7aR)-1-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129429401
[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine
CID 129109705
2-cycloheptyl-7-methylcycloheptan-1-one
CID 154083547
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
1-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470314
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558023
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one?
The IUPAC name of 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one (CID 167103883) is 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one.
What is the SMILES notation for 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one?
The canonical SMILES for 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one is CC1CC(C)N2C(CC3CCCCC32)C1=O.
What is the InChIKey of 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one?
The InChIKey is WIIVBUITTZOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-7-10(2)15-12-6-4-3-5-11(12)8-13(15)14(9)16/h9-13H,3-8H2,1-2H3.
What are the key properties of 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one?
6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one has a molecular weight of 221.34 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,3,4,4a,6,7,8,9a,10,10a-decahydro-1H-pyrido[1,2-a]indol-9-one is sourced from PubChem (CID 167103883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).