2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one

C11H17NO — CID 91264485

IUPAC2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one
SMILESC=C=CC(C)C(=O)N1CCCCC1
InChIInChI=1S/C11H17NO/c1-3-7-10(2)11(13)12-8-5-4-6-9-12/h7,10H,1,4-6,8-9H2,2H3
InChIKeyKJYQPBAEEJCMCD-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one

2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one (PubChem CID 91264485) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one
PubChem CID91264485
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one
SMILESC=C=CC(C)C(=O)N1CCCCC1
InChIInChI=1S/C11H17NO/c1-3-7-10(2)11(13)12-8-5-4-6-9-12/h7,10H,1,4-6,8-9H2,2H3
InChIKeyKJYQPBAEEJCMCD-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-1-(piperidin-1-yl)propan-1-one
CID 4220866
1-(4-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 89385966
1-(Piperidin-1-yl)penta-3,4-dien-1-one
CID 21634276
1-[4-(Oxomethylidene)piperidin-1-yl]ethanone
CID 134874248
(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one
CID 10608067
Piperidine, 1-(2-fluoro-3-methyl-1-oxo-4-pentenyl)-, (R*,S*)-
CID 10798060
(2R,3R)-2-Fluoro-3-methyl-1-(piperidin-1-yl)pent-4-en-1-one
CID 45080931
1-(Piperidin-1-yl)hexa-3,4-dien-1-one
CID 21634277
1-(Piperidin-1-yl)octa-3,4-dien-1-one
CID 21634279
1-(Piperidin-1-yl)deca-3,4-dien-1-one
CID 21634280
1-(4-Methylenepiperidin-1-yl)ethanone
CID 2794962
2-Methyl-1-piperidin-1-ylbut-3-en-1-one
CID 13775384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one?
The IUPAC name of 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one (CID 91264485) is 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one.
What is the SMILES notation for 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one?
The canonical SMILES for 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one is C=C=CC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one?
The InChIKey is KJYQPBAEEJCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-7-10(2)11(13)12-8-5-4-6-9-12/h7,10H,1,4-6,8-9H2,2H3.
What are the key properties of 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one?
2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-1-ylpenta-3,4-dien-1-one is sourced from PubChem (CID 91264485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).