5-cyclobutylidenepyridin-2-one

C9H9NO — CID 75132418

IUPAC5-cyclobutylidenepyridin-2-one
SMILESO=C1C=CC(=C2CCC2)C=N1
InChIInChI=1S/C9H9NO/c11-9-5-4-8(6-10-9)7-2-1-3-7/h4-6H,1-3H2
InChIKeyVKXRJTLULJGRQB-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.63
Rot. Bonds

About 5-cyclobutylidenepyridin-2-one

5-cyclobutylidenepyridin-2-one (PubChem CID 75132418) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-cyclobutylidenepyridin-2-one.

Molecular Properties

Compound Name5-cyclobutylidenepyridin-2-one
PubChem CID75132418
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-cyclobutylidenepyridin-2-one
SMILESO=C1C=CC(=C2CCC2)C=N1
InChIInChI=1S/C9H9NO/c11-9-5-4-8(6-10-9)7-2-1-3-7/h4-6H,1-3H2
InChIKeyVKXRJTLULJGRQB-UHFFFAOYSA-N
XLogP1.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19092219
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10aH-2-benzazocin-3-one
CID 123396627
6aH-3-benzazocin-4-one
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(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
CID 70232698
(1Z,5Z)-6aH-3-benzazocin-4-one
CID 70543314
5-Methylidenepyridin-2-one
CID 74059266
5-(Oxomethylidene)pyridin-2-one
CID 77519955
7H-isoquinolin-3-one
CID 156505306
Cyclohepta[c]pyridin-3-one
CID 162167537
6-Propylazepin-2-one
CID 175327037
Cyclopenta[c]pyridin-3-one
CID 177703333

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylidenepyridin-2-one?
The IUPAC name of 5-cyclobutylidenepyridin-2-one (CID 75132418) is 5-cyclobutylidenepyridin-2-one.
What is the SMILES notation for 5-cyclobutylidenepyridin-2-one?
The canonical SMILES for 5-cyclobutylidenepyridin-2-one is O=C1C=CC(=C2CCC2)C=N1.
What is the InChIKey of 5-cyclobutylidenepyridin-2-one?
The InChIKey is VKXRJTLULJGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-4-8(6-10-9)7-2-1-3-7/h4-6H,1-3H2.
What are the key properties of 5-cyclobutylidenepyridin-2-one?
5-cyclobutylidenepyridin-2-one has a molecular weight of 147.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylidenepyridin-2-one is sourced from PubChem (CID 75132418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).