(3S)-N-prop-2-enylpyrrolidine-3-carboxamide

C8H14N2O — CID 94915636

IUPAC(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCNC1
InChIInChI=1S/C8H14N2O/c1-2-4-10-8(11)7-3-5-9-6-7/h2,7,9H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyUIBFALWGZYLYCF-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.10
Rot. Bonds3

About (3S)-N-prop-2-enylpyrrolidine-3-carboxamide

(3S)-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 94915636) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3S)-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID94915636
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCNC1
InChIInChI=1S/C8H14N2O/c1-2-4-10-8(11)7-3-5-9-6-7/h2,7,9H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyUIBFALWGZYLYCF-ZETCQYMHSA-N
XLogP-0.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-N-prop-2-enylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 53410806
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
CID 126649587
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130670847
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948

Frequently Asked Questions

What is the IUPAC name of (3S)-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-prop-2-enylpyrrolidine-3-carboxamide (CID 94915636) is (3S)-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is UIBFALWGZYLYCF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-4-10-8(11)7-3-5-9-6-7/h2,7,9H,1,3-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (3S)-N-prop-2-enylpyrrolidine-3-carboxamide?
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 94915636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).