1-methyl-2,4,7,8-tetrahydroquinolin-3-one

C10H13NO — CID 142262018

IUPAC1-methyl-2,4,7,8-tetrahydroquinolin-3-one
SMILESCN1CC(=O)CC2=C1CCC=C2
InChIInChI=1S/C10H13NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2,4H,3,5-7H2,1H3
InChIKeyMPEDTCHGNWPDJR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.50
Rot. Bonds

About 1-methyl-2,4,7,8-tetrahydroquinolin-3-one

1-methyl-2,4,7,8-tetrahydroquinolin-3-one (PubChem CID 142262018) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methyl-2,4,7,8-tetrahydroquinolin-3-one.

Molecular Properties

Compound Name1-methyl-2,4,7,8-tetrahydroquinolin-3-one
PubChem CID142262018
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-methyl-2,4,7,8-tetrahydroquinolin-3-one
SMILESCN1CC(=O)CC2=C1CCC=C2
InChIInChI=1S/C10H13NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2,4H,3,5-7H2,1H3
InChIKeyMPEDTCHGNWPDJR-UHFFFAOYSA-N
XLogP1.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4,7,8-tetrahydroquinolin-3-one?
The IUPAC name of 1-methyl-2,4,7,8-tetrahydroquinolin-3-one (CID 142262018) is 1-methyl-2,4,7,8-tetrahydroquinolin-3-one.
What is the SMILES notation for 1-methyl-2,4,7,8-tetrahydroquinolin-3-one?
The canonical SMILES for 1-methyl-2,4,7,8-tetrahydroquinolin-3-one is CN1CC(=O)CC2=C1CCC=C2.
What is the InChIKey of 1-methyl-2,4,7,8-tetrahydroquinolin-3-one?
The InChIKey is MPEDTCHGNWPDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2,4H,3,5-7H2,1H3.
What are the key properties of 1-methyl-2,4,7,8-tetrahydroquinolin-3-one?
1-methyl-2,4,7,8-tetrahydroquinolin-3-one has a molecular weight of 163.22 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4,7,8-tetrahydroquinolin-3-one is sourced from PubChem (CID 142262018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).