N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide

C8H11ClN2O2 — CID 115636687

IUPACN-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
SMILESC=C(Cl)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C8H11ClN2O2/c1-5(9)3-11-8(13)6-2-7(12)10-4-6/h6H,1-4H2,(H,10,12)(H,11,13)
InChIKeyJQJOEMKHFFWURG-UHFFFAOYSA-N
MW202.64 g/mol
LogP-0.01
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide

N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 115636687) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID115636687
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC NameN-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
SMILESC=C(Cl)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C8H11ClN2O2/c1-5(9)3-11-8(13)6-2-7(12)10-4-6/h6H,1-4H2,(H,10,12)(H,11,13)
InChIKeyJQJOEMKHFFWURG-UHFFFAOYSA-N
XLogP-0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide (CID 115636687) is N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide is C=C(Cl)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JQJOEMKHFFWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(9)3-11-8(13)6-2-7(12)10-4-6/h6H,1-4H2,(H,10,12)(H,11,13).
What are the key properties of N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 202.64 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115636687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).