(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one

C13H19NO — CID 15460454

IUPAC(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one
SMILESC=CC1=CCC[C@H]2N(C)C(=O)CC[C@]12C
InChIInChI=1S/C13H19NO/c1-4-10-6-5-7-11-13(10,2)9-8-12(15)14(11)3/h4,6,11H,1,5,7-9H2,2-3H3/t11-,13-/m1/s1
InChIKeyWVZAHCXESYZZKV-DGCLKSJQSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds1

About (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one

(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one (PubChem CID 15460454) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one
PubChem CID15460454
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one
SMILESC=CC1=CCC[C@H]2N(C)C(=O)CC[C@]12C
InChIInChI=1S/C13H19NO/c1-4-10-6-5-7-11-13(10,2)9-8-12(15)14(11)3/h4,6,11H,1,5,7-9H2,2-3H3/t11-,13-/m1/s1
InChIKeyWVZAHCXESYZZKV-DGCLKSJQSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566
(5S,6R)-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluoro-1-methylcyclohexa-2,4-dien-1-yl)piperidin-2-one
CID 145666680
1,2,3,6,8,9,10,11,11a,11b-Decahydrobenzo[a]quinolizin-4-one
CID 10774629
(3S,8aR)-2,3,8a-trimethyl-4,6-dihydro-3H-isoquinolin-1-one
CID 10921348
(3S,8aR)-2,3-dimethyl-8a-prop-2-enyl-4,6-dihydro-3H-isoquinolin-1-one
CID 15831395
2-Methyl-2-azaspiro[5.5]undec-8-en-1-one
CID 71421676
13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
CID 123883569
(4aR,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 14526647
4H-Quinolizin-4-one, 1,2,3,6,9,9A-hexahydro-9-methylene-
CID 101203268
(4aS,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 131871786
(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 14414784
(4aR,10bR)-4,10b-dimethyl-8-sulfanylidene-1,2,4a,5,6,9-hexahydrobenzo[f]quinolin-3-one
CID 22865074

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one?
The IUPAC name of (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one (CID 15460454) is (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one is C=CC1=CCC[C@H]2N(C)C(=O)CC[C@]12C.
What is the InChIKey of (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one?
The InChIKey is WVZAHCXESYZZKV-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10-6-5-7-11-13(10,2)9-8-12(15)14(11)3/h4,6,11H,1,5,7-9H2,2-3H3/t11-,13-/m1/s1.
What are the key properties of (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one?
(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 15460454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).