4,6-dihydro-1H-quinolin-5-one

C9H9NO — CID 19815263

IUPAC4,6-dihydro-1H-quinolin-5-one
SMILESO=C1CC=CC2=C1CC=CN2
InChIInChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-2,4,6,10H,3,5H2
InChIKeyXCJMJKKNVLJARI-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.28
Rot. Bonds

About 4,6-dihydro-1H-quinolin-5-one

4,6-dihydro-1H-quinolin-5-one (PubChem CID 19815263) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4,6-dihydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4,6-dihydro-1H-quinolin-5-one
PubChem CID19815263
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4,6-dihydro-1H-quinolin-5-one
SMILESO=C1CC=CC2=C1CC=CN2
InChIInChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-2,4,6,10H,3,5H2
InChIKeyXCJMJKKNVLJARI-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydro-1H-quinolin-5-one?
The IUPAC name of 4,6-dihydro-1H-quinolin-5-one (CID 19815263) is 4,6-dihydro-1H-quinolin-5-one.
What is the SMILES notation for 4,6-dihydro-1H-quinolin-5-one?
The canonical SMILES for 4,6-dihydro-1H-quinolin-5-one is O=C1CC=CC2=C1CC=CN2.
What is the InChIKey of 4,6-dihydro-1H-quinolin-5-one?
The InChIKey is XCJMJKKNVLJARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-2,4,6,10H,3,5H2.
What are the key properties of 4,6-dihydro-1H-quinolin-5-one?
4,6-dihydro-1H-quinolin-5-one has a molecular weight of 147.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydro-1H-quinolin-5-one is sourced from PubChem (CID 19815263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).