9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one

C13H15NO — CID 135038335

IUPAC9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one
SMILESCC12C=CC=CN1C1=C(CCCC1)C2=O
InChIInChI=1S/C13H15NO/c1-13-8-4-5-9-14(13)11-7-3-2-6-10(11)12(13)15/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyVPXVTRDPNFHQJY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.54
Rot. Bonds

About 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one

9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one (PubChem CID 135038335) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one.

Molecular Properties

Compound Name9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one
PubChem CID135038335
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one
SMILESCC12C=CC=CN1C1=C(CCCC1)C2=O
InChIInChI=1S/C13H15NO/c1-13-8-4-5-9-14(13)11-7-3-2-6-10(11)12(13)15/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyVPXVTRDPNFHQJY-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one?
The IUPAC name of 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one (CID 135038335) is 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one.
What is the SMILES notation for 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one?
The canonical SMILES for 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one is CC12C=CC=CN1C1=C(CCCC1)C2=O.
What is the InChIKey of 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one?
The InChIKey is VPXVTRDPNFHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13-8-4-5-9-14(13)11-7-3-2-6-10(11)12(13)15/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one?
9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one has a molecular weight of 201.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-one is sourced from PubChem (CID 135038335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).