2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one

C13H17NO — CID 118281628

IUPAC2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one
SMILESCN1CCC2C(=O)C3=C(C=CCC3)C2C1
InChIInChI=1S/C13H17NO/c1-14-7-6-11-12(8-14)9-4-2-3-5-10(9)13(11)15/h2,4,11-12H,3,5-8H2,1H3
InChIKeySBRBWHYZPJZIGD-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.78
Rot. Bonds

About 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one

2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one (PubChem CID 118281628) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one.

Molecular Properties

Compound Name2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one
PubChem CID118281628
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one
SMILESCN1CCC2C(=O)C3=C(C=CCC3)C2C1
InChIInChI=1S/C13H17NO/c1-14-7-6-11-12(8-14)9-4-2-3-5-10(9)13(11)15/h2,4,11-12H,3,5-8H2,1H3
InChIKeySBRBWHYZPJZIGD-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one?
The IUPAC name of 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one (CID 118281628) is 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one.
What is the SMILES notation for 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one?
The canonical SMILES for 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one is CN1CCC2C(=O)C3=C(C=CCC3)C2C1.
What is the InChIKey of 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one?
The InChIKey is SBRBWHYZPJZIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-7-6-11-12(8-14)9-4-2-3-5-10(9)13(11)15/h2,4,11-12H,3,5-8H2,1H3.
What are the key properties of 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one?
2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one has a molecular weight of 203.28 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,6,7,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-one is sourced from PubChem (CID 118281628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).