(2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one

C10H15NO — CID 139148291

IUPAC(2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one
SMILESC[C@H]1CC(=O)C2=C(CCCC2)N1
InChIInChI=1S/C10H15NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeyFHHXGWGGUOLONR-ZETCQYMHSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds

About (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one

(2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one (PubChem CID 139148291) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one
PubChem CID139148291
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one
SMILESC[C@H]1CC(=O)C2=C(CCCC2)N1
InChIInChI=1S/C10H15NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeyFHHXGWGGUOLONR-ZETCQYMHSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one?
The IUPAC name of (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one (CID 139148291) is (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one.
What is the SMILES notation for (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one?
The canonical SMILES for (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one is C[C@H]1CC(=O)C2=C(CCCC2)N1.
What is the InChIKey of (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one?
The InChIKey is FHHXGWGGUOLONR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7,11H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one?
(2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one has a molecular weight of 165.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3,5,6,7,8-hexahydro-1H-quinolin-4-one is sourced from PubChem (CID 139148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).