2-prop-2-enoylpyrrolidine-1-carboxylic acid

C8H11NO3 — CID 69463823

IUPAC2-prop-2-enoylpyrrolidine-1-carboxylic acid
SMILESC=CC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-7(10)6-4-3-5-9(6)8(11)12/h2,6H,1,3-5H2,(H,11,12)
InChIKeyVRBUFKCMIANLJW-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.88
Rot. Bonds2

About 2-prop-2-enoylpyrrolidine-1-carboxylic acid

2-prop-2-enoylpyrrolidine-1-carboxylic acid (PubChem CID 69463823) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-prop-2-enoylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enoylpyrrolidine-1-carboxylic acid
PubChem CID69463823
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-prop-2-enoylpyrrolidine-1-carboxylic acid
SMILESC=CC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-7(10)6-4-3-5-9(6)8(11)12/h2,6H,1,3-5H2,(H,11,12)
InChIKeyVRBUFKCMIANLJW-UHFFFAOYSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
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

2-(2-diazoacetyl)pyrrolidine-1-carboxylic acid
CID 136932287
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 121437087
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
CID 126526083
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261
(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 45259039

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-prop-2-enoylpyrrolidine-1-carboxylic acid (CID 69463823) is 2-prop-2-enoylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-prop-2-enoylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-prop-2-enoylpyrrolidine-1-carboxylic acid is C=CC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-prop-2-enoylpyrrolidine-1-carboxylic acid?
The InChIKey is VRBUFKCMIANLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-7(10)6-4-3-5-9(6)8(11)12/h2,6H,1,3-5H2,(H,11,12).
What are the key properties of 2-prop-2-enoylpyrrolidine-1-carboxylic acid?
2-prop-2-enoylpyrrolidine-1-carboxylic acid has a molecular weight of 169.18 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 2-prop-2-enoylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69463823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).