2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid

C9H13NO3 — CID 83636339

IUPAC2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCN1CCC(C(=O)O)CC1=O
InChIInChI=1S/C9H13NO3/c1-2-4-10-5-3-7(9(12)13)6-8(10)11/h2,7H,1,3-6H2,(H,12,13)
InChIKeyDCSBMXLMRTXHKZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.50
Rot. Bonds3

About 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid

2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid (PubChem CID 83636339) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid
PubChem CID83636339
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCN1CCC(C(=O)O)CC1=O
InChIInChI=1S/C9H13NO3/c1-2-4-10-5-3-7(9(12)13)6-8(10)11/h2,7H,1,3-6H2,(H,12,13)
InChIKeyDCSBMXLMRTXHKZ-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
CID 94075728
1-(3,3-dimethylbutyl)-2-oxopiperidine-4-carboxylic acid
CID 116837759
1-(oxan-4-ylmethyl)-2-oxopiperidine-4-carboxylic acid
CID 116837751
1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837741
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 113181988
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
CID 154912573
5-oxo-1-prop-2-enyl-N-[1-(thian-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 131912773
azane;1-prop-2-enylpyrrolidin-2-one
CID 174828980
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid (CID 83636339) is 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid is C=CCN1CCC(C(=O)O)CC1=O.
What is the InChIKey of 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid?
The InChIKey is DCSBMXLMRTXHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-4-10-5-3-7(9(12)13)6-8(10)11/h2,7H,1,3-6H2,(H,12,13).
What are the key properties of 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid?
2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83636339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).