molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide

C8H18N2O — CID 170638122

IUPACmolecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide
SMILESC/C=C/NC(=O)C1CCCN1.[H][H].[H][H]
InChIInChI=1S/C8H14N2O.2H2/c1-2-5-10-8(11)7-4-3-6-9-7;;/h2,5,7,9H,3-4,6H2,1H3,(H,10,11);2*1H/b5-2+;;
InChIKeyDUYBFSQEVIOEFQ-OPIVVEOKSA-N
MW158.25 g/mol
LogP0.88
Rot. Bonds2

About molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide

molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide (PubChem CID 170638122) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide
PubChem CID170638122
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Namemolecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide
SMILESC/C=C/NC(=O)C1CCCN1.[H][H].[H][H]
InChIInChI=1S/C8H14N2O.2H2/c1-2-5-10-8(11)7-4-3-6-9-7;;/h2,5,7,9H,3-4,6H2,1H3,(H,10,11);2*1H/b5-2+;;
InChIKeyDUYBFSQEVIOEFQ-OPIVVEOKSA-N
XLogP0.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-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

(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
[(2R)-pyrrolidine-2-carbonyl]carbamic acid
CID 91322472
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N,N-dimethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 143692131
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-propylpyrrolidine-2-carboxamide
CID 4984185
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide (CID 170638122) is molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide is C/C=C/NC(=O)C1CCCN1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide?
The InChIKey is DUYBFSQEVIOEFQ-OPIVVEOKSA-N. The full InChI is InChI=1S/C8H14N2O.2H2/c1-2-5-10-8(11)7-4-3-6-9-7;;/h2,5,7,9H,3-4,6H2,1H3,(H,10,11);2*1H/b5-2+;;.
What are the key properties of molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide?
molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide has a molecular weight of 158.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(E)-prop-1-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170638122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).