(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid

C10H15NO3 — CID 58070890

IUPAC(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
SMILESC=CCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-6-9(12)11-7-4-5-8(11)10(13)14/h2,8H,1,3-7H2,(H,13,14)/t8-/m1/s1
InChIKeyJHMQVIVKQGKVHG-MRVPVSSYSA-N
MW197.23 g/mol
LogP1.03
Rot. Bonds4

About (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid

(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid (PubChem CID 58070890) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
PubChem CID58070890
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
SMILESC=CCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-6-9(12)11-7-4-5-8(11)10(13)14/h2,8H,1,3-7H2,(H,13,14)/t8-/m1/s1
InChIKeyJHMQVIVKQGKVHG-MRVPVSSYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.03
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

1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 62677214
1-[2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 14788288
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10679035
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
prop-2-enyl (2S)-1-hex-5-enoylpyrrolidine-2-carboxylate
CID 90084445
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61193747
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
(2S)-1-(2-prop-2-enylpent-4-enoyl)pyrrolidine-2-carboxylic acid
CID 119364894

Frequently Asked Questions

What is the IUPAC name of (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid (CID 58070890) is (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid is C=CCCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid?
The InChIKey is JHMQVIVKQGKVHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-6-9(12)11-7-4-5-8(11)10(13)14/h2,8H,1,3-7H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid?
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 58070890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).