(4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one

C14H17NO — CID 59542414

IUPAC(4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one
SMILESCC[C@]12CCC(=O)N[C@H]1c1ccccc1C2
InChIInChI=1S/C14H17NO/c1-2-14-8-7-12(16)15-13(14)11-6-4-3-5-10(11)9-14/h3-6,13H,2,7-9H2,1H3,(H,15,16)/t13-,14+/m0/s1
InChIKeyYEMWGFZFRJFFSU-UONOGXRCSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds1

About (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one

(4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one (PubChem CID 59542414) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one.

Molecular Properties

Compound Name(4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one
PubChem CID59542414
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one
SMILESCC[C@]12CCC(=O)N[C@H]1c1ccccc1C2
InChIInChI=1S/C14H17NO/c1-2-14-8-7-12(16)15-13(14)11-6-4-3-5-10(11)9-14/h3-6,13H,2,7-9H2,1H3,(H,15,16)/t13-,14+/m0/s1
InChIKeyYEMWGFZFRJFFSU-UONOGXRCSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one?
The IUPAC name of (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one (CID 59542414) is (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one.
What is the SMILES notation for (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one?
The canonical SMILES for (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one is CC[C@]12CCC(=O)N[C@H]1c1ccccc1C2.
What is the InChIKey of (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one?
The InChIKey is YEMWGFZFRJFFSU-UONOGXRCSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-14-8-7-12(16)15-13(14)11-6-4-3-5-10(11)9-14/h3-6,13H,2,7-9H2,1H3,(H,15,16)/t13-,14+/m0/s1.
What are the key properties of (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one?
(4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bR)-4a-ethyl-3,4,5,9b-tetrahydro-1H-indeno[1,2-b]pyridin-2-one is sourced from PubChem (CID 59542414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).