N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide

C9H14N2O2 — CID 115692112

IUPACN-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
SMILESC=CC(C)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C9H14N2O2/c1-3-6(2)11-9(13)7-4-8(12)10-5-7/h3,6-7H,1,4-5H2,2H3,(H,10,12)(H,11,13)
InChIKeyGNXCTXHOAFVULG-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.19
Rot. Bonds3

About N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide

N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 115692112) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID115692112
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
SMILESC=CC(C)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C9H14N2O2/c1-3-6(2)11-9(13)7-4-8(12)10-5-7/h3,6-7H,1,4-5H2,2H3,(H,10,12)(H,11,13)
InChIKeyGNXCTXHOAFVULG-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.19
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-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982449
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 115764461
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
3-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193723
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
N-(2-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 83192944

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide (CID 115692112) is N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide is C=CC(C)NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GNXCTXHOAFVULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-6(2)11-9(13)7-4-8(12)10-5-7/h3,6-7H,1,4-5H2,2H3,(H,10,12)(H,11,13).
What are the key properties of N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide?
N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115692112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).