(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one

C11H17NO — CID 14414784

IUPAC(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCN1C(=O)CC[C@]2(C)CCCC=C12
InChIInChI=1S/C11H17NO/c1-11-7-4-3-5-9(11)12(2)10(13)6-8-11/h5H,3-4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyVPLSIRYRHNYKJA-NSHDSACASA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds

About (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one

(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one (PubChem CID 14414784) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
PubChem CID14414784
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCN1C(=O)CC[C@]2(C)CCCC=C12
InChIInChI=1S/C11H17NO/c1-11-7-4-3-5-9(11)12(2)10(13)6-8-11/h5H,3-4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyVPLSIRYRHNYKJA-NSHDSACASA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 53015308
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196524
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196527
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
CID 110196532
2-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 110196536
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
CID 110196540
1-Ethyl-2-oxo-N-propyl-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 110203905
N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]propanamide
CID 164642342
(8R,10bR)-4,10b-dimethyl-8-(trifluoromethyl)-2,6,6a,7,8,9-hexahydro-1H-benzo[f]quinolin-3-one
CID 141983997
2(1H)-Quinolinone, 3,4,4a,5,6,7-hexahydro-4a-methyl-
CID 12269247
2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one
CID 132539023
(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one
CID 15460454

Frequently Asked Questions

What is the IUPAC name of (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The IUPAC name of (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one (CID 14414784) is (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one is CN1C(=O)CC[C@]2(C)CCCC=C12.
What is the InChIKey of (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The InChIKey is VPLSIRYRHNYKJA-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-11-7-4-3-5-9(11)12(2)10(13)6-8-11/h5H,3-4,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 14414784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).