1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one

C19H19NO — CID 12885602

IUPAC1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
SMILESCN1C(=O)CCC2C(c3ccccc3)c3ccccc3C21
InChIInChI=1S/C19H19NO/c1-20-17(21)12-11-16-18(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(16)20/h2-10,16,18-19H,11-12H2,1H3
InChIKeyHCUZFEIMUXRUKO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.74
Rot. Bonds1

About 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one

1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one (PubChem CID 12885602) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
PubChem CID12885602
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
SMILESCN1C(=O)CCC2C(c3ccccc3)c3ccccc3C21
InChIInChI=1S/C19H19NO/c1-20-17(21)12-11-16-18(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(16)20/h2-10,16,18-19H,11-12H2,1H3
InChIKeyHCUZFEIMUXRUKO-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
The IUPAC name of 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one (CID 12885602) is 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
The canonical SMILES for 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one is CN1C(=O)CCC2C(c3ccccc3)c3ccccc3C21.
What is the InChIKey of 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
The InChIKey is HCUZFEIMUXRUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-20-17(21)12-11-16-18(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(16)20/h2-10,16,18-19H,11-12H2,1H3.
What are the key properties of 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one is sourced from PubChem (CID 12885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).