4,4a-dihydro-3H-quinolin-5-one

C9H9NO — CID 68843701

IUPAC4,4a-dihydro-3H-quinolin-5-one
SMILESO=C1C=CC=C2N=CCCC12
InChIInChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1,4-7H,2-3H2
InChIKeyWLYOVTCXTQEIIY-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.49
Rot. Bonds

About 4,4a-dihydro-3H-quinolin-5-one

4,4a-dihydro-3H-quinolin-5-one (PubChem CID 68843701) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4,4a-dihydro-3H-quinolin-5-one.

Molecular Properties

Compound Name4,4a-dihydro-3H-quinolin-5-one
PubChem CID68843701
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4,4a-dihydro-3H-quinolin-5-one
SMILESO=C1C=CC=C2N=CCCC12
InChIInChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1,4-7H,2-3H2
InChIKeyWLYOVTCXTQEIIY-UHFFFAOYSA-N
XLogP1.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydro-3H-quinolin-5-one?
The IUPAC name of 4,4a-dihydro-3H-quinolin-5-one (CID 68843701) is 4,4a-dihydro-3H-quinolin-5-one.
What is the SMILES notation for 4,4a-dihydro-3H-quinolin-5-one?
The canonical SMILES for 4,4a-dihydro-3H-quinolin-5-one is O=C1C=CC=C2N=CCCC12.
What is the InChIKey of 4,4a-dihydro-3H-quinolin-5-one?
The InChIKey is WLYOVTCXTQEIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1,4-7H,2-3H2.
What are the key properties of 4,4a-dihydro-3H-quinolin-5-one?
4,4a-dihydro-3H-quinolin-5-one has a molecular weight of 147.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydro-3H-quinolin-5-one is sourced from PubChem (CID 68843701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).