(4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one

C9H13NO — CID 15409047

IUPAC(4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one
SMILESO=C1CC[C@@H]2CC=CC[C@H]2N1
InChIInChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/t7-,8+/m0/s1
InChIKeyAOZHYGYPDSGYSO-JGVFFNPUSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds

About (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one

(4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one (PubChem CID 15409047) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one
PubChem CID15409047
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one
SMILESO=C1CC[C@@H]2CC=CC[C@H]2N1
InChIInChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/t7-,8+/m0/s1
InChIKeyAOZHYGYPDSGYSO-JGVFFNPUSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-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

Related Compounds

6-(Prop-2-en-1-yl)piperidin-2-one
CID 14507689
2-Azabicyclo(2.2.2)oct-5-en-3-one
CID 55285700
3-(But-3-en-1-yl)piperidin-2-one
CID 10103349
3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
CID 19976059
3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 20223084
2,4,4a,8a-tetrahydro-1H-isoquinolin-3-one
CID 53756417
Hexahydroisoquinolone
CID 67217713
Hexahydroisoquinolin-3(2h)-one
CID 90806750
7-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 66911309
8-fluoro-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 67152386
(4S)-4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidin-2-one
CID 89358835
(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one
CID 11480552

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one?
The IUPAC name of (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one (CID 15409047) is (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one.
What is the SMILES notation for (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one?
The canonical SMILES for (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one is O=C1CC[C@@H]2CC=CC[C@H]2N1.
What is the InChIKey of (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one?
The InChIKey is AOZHYGYPDSGYSO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one?
(4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-quinolin-2-one is sourced from PubChem (CID 15409047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).