3H-quinolin-2-one

C9H7NO — CID 56625474

IUPAC3H-quinolin-2-one
SMILESO=C1CC=c2ccccc2=N1
InChIInChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-5H,6H2
InChIKeyCFPBYGKISUKURJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.02
Rot. Bonds

About 3H-quinolin-2-one

3H-quinolin-2-one (PubChem CID 56625474) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 3H-quinolin-2-one.

Molecular Properties

Compound Name3H-quinolin-2-one
PubChem CID56625474
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name3H-quinolin-2-one
SMILESO=C1CC=c2ccccc2=N1
InChIInChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-5H,6H2
InChIKeyCFPBYGKISUKURJ-UHFFFAOYSA-N
XLogP0.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-quinolin-2-one?
The IUPAC name of 3H-quinolin-2-one (CID 56625474) is 3H-quinolin-2-one.
What is the SMILES notation for 3H-quinolin-2-one?
The canonical SMILES for 3H-quinolin-2-one is O=C1CC=c2ccccc2=N1.
What is the InChIKey of 3H-quinolin-2-one?
The InChIKey is CFPBYGKISUKURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-5H,6H2.
What are the key properties of 3H-quinolin-2-one?
3H-quinolin-2-one has a molecular weight of 145.16 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-quinolin-2-one is sourced from PubChem (CID 56625474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).