N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane

C11H22N2O — CID 142056483

IUPACN-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1CCCN1.CC
InChIInChI=1S/C9H16N2O.C2H6/c1-2-3-6-11-9(12)8-5-4-7-10-8;1-2/h2-3,8,10H,4-7H2,1H3,(H,11,12);1-2H3/b3-2+;
InChIKeyAHIZBKFNXXTURF-SQQVDAMQSA-N
MW198.31 g/mol
LogP1.46
Rot. Bonds3

About N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane

N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane (PubChem CID 142056483) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane
PubChem CID142056483
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1CCCN1.CC
InChIInChI=1S/C9H16N2O.C2H6/c1-2-3-6-11-9(12)8-5-4-7-10-8;1-2/h2-3,8,10H,4-7H2,1H3,(H,11,12);1-2H3/b3-2+;
InChIKeyAHIZBKFNXXTURF-SQQVDAMQSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 3156727
(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
CID 103655672
N-propylpyrrolidine-2-carboxamide
CID 4984185
N,N-diethylpyrrolidine-2-carboxamide
CID 5036780
(S)-1-Allylpyrrolidine-2-carboxamide
CID 45084391
(2R)-N-(propan-2-yl)pyrrolidine-2-carboxamide hydrochloride
CID 139022811
(2S)-2-acetamido-N-prop-2-enylpentanediamide
CID 165430627
(2S)-N,N-Diethyl-2-pyrrolidinecarboxamide
CID 952317
(S)-N-Isopropylpyrrolidine-2-carboxamide
CID 10898944
N-(prop-2-en-1-yl)pyrrolidine-2-carboxamide
CID 24710865
(s)-N-ethyl-1-methylpyrrolidine-2-carboxamide
CID 54458063
(2S,4S)-4-fluoro-1-formyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 89383923

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane (CID 142056483) is N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane is C/C=C/CNC(=O)C1CCCN1.CC.
What is the InChIKey of N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane?
The InChIKey is AHIZBKFNXXTURF-SQQVDAMQSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-2-3-6-11-9(12)8-5-4-7-10-8;1-2/h2-3,8,10H,4-7H2,1H3,(H,11,12);1-2H3/b3-2+;.
What are the key properties of N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane?
N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane has a molecular weight of 198.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 142056483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).