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

C10H15NO — CID 13082108

IUPAC3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
SMILESCC1CC2=C(CCCC2)NC1=O
InChIInChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeySQMDUVDWXVPBFJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.97
Rot. Bonds

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

3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one (PubChem CID 13082108) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
PubChem CID13082108
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
SMILESCC1CC2=C(CCCC2)NC1=O
InChIInChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeySQMDUVDWXVPBFJ-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one?
The IUPAC name of 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one (CID 13082108) is 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one is CC1CC2=C(CCCC2)NC1=O.
What is the InChIKey of 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one?
The InChIKey is SQMDUVDWXVPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one?
3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one is sourced from PubChem (CID 13082108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).