1-piperidin-2-ylprop-2-en-1-one

C8H13NO — CID 116547790

IUPAC1-piperidin-2-ylprop-2-en-1-one
SMILESC=CC(=O)C1CCCCN1
InChIInChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h2,7,9H,1,3-6H2
InChIKeyNLAWCJTVQFVJET-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.88
Rot. Bonds2

About 1-piperidin-2-ylprop-2-en-1-one

1-piperidin-2-ylprop-2-en-1-one (PubChem CID 116547790) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-piperidin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-piperidin-2-ylprop-2-en-1-one
PubChem CID116547790
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-piperidin-2-ylprop-2-en-1-one
SMILESC=CC(=O)C1CCCCN1
InChIInChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h2,7,9H,1,3-6H2
InChIKeyNLAWCJTVQFVJET-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2R)-piperidine-2-carboxylic acid
CID 10725378
N,N-bis(prop-2-enyl)piperidine-2-carboxamide;hydrochloride
CID 53410651
azacyclohenicosane-2-carboxylic acid
CID 22341743
N-(piperidine-2-carbonylimino)piperidine-2-carboxamide
CID 14446535
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
sodium (2S)-piperidine-2-carboxylate
CID 23691892
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
2-methyl-1-[(2S)-piperidin-2-yl]prop-2-en-1-one
CID 165468082
N-but-3-en-2-ylpiperidine-2-carboxamide
CID 115734296
ethenyl pyrrolidine-2-carboxylate
CID 77217277
1-(azepan-2-yl)oct-7-en-1-one
CID 107010905

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-ylprop-2-en-1-one?
The IUPAC name of 1-piperidin-2-ylprop-2-en-1-one (CID 116547790) is 1-piperidin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-piperidin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-piperidin-2-ylprop-2-en-1-one is C=CC(=O)C1CCCCN1.
What is the InChIKey of 1-piperidin-2-ylprop-2-en-1-one?
The InChIKey is NLAWCJTVQFVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h2,7,9H,1,3-6H2.
What are the key properties of 1-piperidin-2-ylprop-2-en-1-one?
1-piperidin-2-ylprop-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylprop-2-en-1-one is sourced from PubChem (CID 116547790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).