4aH-quinolin-4-one

C9H7NO — CID 45074595

IUPAC4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=CC=CC12
InChIInChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-7H
InChIKeyNAAKRXFLEOHRLN-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.27
Rot. Bonds

About 4aH-quinolin-4-one

4aH-quinolin-4-one (PubChem CID 45074595) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4aH-quinolin-4-one.

Molecular Properties

Compound Name4aH-quinolin-4-one
PubChem CID45074595
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=CC=CC12
InChIInChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-7H
InChIKeyNAAKRXFLEOHRLN-UHFFFAOYSA-N
XLogP1.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4aH-quinolin-4-one?
The IUPAC name of 4aH-quinolin-4-one (CID 45074595) is 4aH-quinolin-4-one.
What is the SMILES notation for 4aH-quinolin-4-one?
The canonical SMILES for 4aH-quinolin-4-one is O=C1C=CN=C2C=CC=CC12.
What is the InChIKey of 4aH-quinolin-4-one?
The InChIKey is NAAKRXFLEOHRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-7H.
What are the key properties of 4aH-quinolin-4-one?
4aH-quinolin-4-one has a molecular weight of 145.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-quinolin-4-one is sourced from PubChem (CID 45074595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).