1-pent-4-enoylpyrrolidine-3-carboxylic acid

C10H15NO3 — CID 63030781

IUPAC1-pent-4-enoylpyrrolidine-3-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-4-9(12)11-6-5-8(7-11)10(13)14/h2,8H,1,3-7H2,(H,13,14)
InChIKeyKTEIMEQYOFPIOV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds4

About 1-pent-4-enoylpyrrolidine-3-carboxylic acid

1-pent-4-enoylpyrrolidine-3-carboxylic acid (PubChem CID 63030781) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-pent-4-enoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pent-4-enoylpyrrolidine-3-carboxylic acid
PubChem CID63030781
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-pent-4-enoylpyrrolidine-3-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-4-9(12)11-6-5-8(7-11)10(13)14/h2,8H,1,3-7H2,(H,13,14)
InChIKeyKTEIMEQYOFPIOV-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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

5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
CID 107224564
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pent-4-en-1-one;dihydrochloride
CID 119637948
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-pent-4-enoylpyrrolidine-3-carboxylic acid (CID 63030781) is 1-pent-4-enoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-pent-4-enoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-pent-4-enoylpyrrolidine-3-carboxylic acid is C=CCCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-pent-4-enoylpyrrolidine-3-carboxylic acid?
The InChIKey is KTEIMEQYOFPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-9(12)11-6-5-8(7-11)10(13)14/h2,8H,1,3-7H2,(H,13,14).
What are the key properties of 1-pent-4-enoylpyrrolidine-3-carboxylic acid?
1-pent-4-enoylpyrrolidine-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).