2,4-dihydro-1H-quinolin-3-one

C9H9NO — CID 23433512

IUPAC2,4-dihydro-1H-quinolin-3-one
SMILESO=C1CNc2ccccc2C1
InChIInChI=1S/C9H9NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-4,10H,5-6H2
InChIKeyNGXSHCKRGQPHDL-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.22
Rot. Bonds

About 2,4-dihydro-1H-quinolin-3-one

2,4-dihydro-1H-quinolin-3-one (PubChem CID 23433512) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,4-dihydro-1H-quinolin-3-one.

Molecular Properties

Compound Name2,4-dihydro-1H-quinolin-3-one
PubChem CID23433512
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2,4-dihydro-1H-quinolin-3-one
SMILESO=C1CNc2ccccc2C1
InChIInChI=1S/C9H9NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-4,10H,5-6H2
InChIKeyNGXSHCKRGQPHDL-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-quinolin-3-one?
The IUPAC name of 2,4-dihydro-1H-quinolin-3-one (CID 23433512) is 2,4-dihydro-1H-quinolin-3-one.
What is the SMILES notation for 2,4-dihydro-1H-quinolin-3-one?
The canonical SMILES for 2,4-dihydro-1H-quinolin-3-one is O=C1CNc2ccccc2C1.
What is the InChIKey of 2,4-dihydro-1H-quinolin-3-one?
The InChIKey is NGXSHCKRGQPHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-4,10H,5-6H2.
What are the key properties of 2,4-dihydro-1H-quinolin-3-one?
2,4-dihydro-1H-quinolin-3-one has a molecular weight of 147.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-quinolin-3-one is sourced from PubChem (CID 23433512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).