N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide

C9H13ClN2O2 — CID 130826306

IUPACN-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide
SMILESC=C(Cl)C(=O)N1CCC(NC(C)=O)C1
InChIInChI=1S/C9H13ClN2O2/c1-6(10)9(14)12-4-3-8(5-12)11-7(2)13/h8H,1,3-5H2,2H3,(H,11,13)
InChIKeyLWFVPHNEHADZTF-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.48
Rot. Bonds2

About N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide

N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide (PubChem CID 130826306) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide
PubChem CID130826306
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide
SMILESC=C(Cl)C(=O)N1CCC(NC(C)=O)C1
InChIInChI=1S/C9H13ClN2O2/c1-6(10)9(14)12-4-3-8(5-12)11-7(2)13/h8H,1,3-5H2,2H3,(H,11,13)
InChIKeyLWFVPHNEHADZTF-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide 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-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
[1-(2-chloroprop-2-enoyl)piperidin-4-yl]urea
CID 130840928
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
2-chloro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)prop-2-en-1-one
CID 131002516
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
N-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 135183234
(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 113402525
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide (CID 130826306) is N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide is C=C(Cl)C(=O)N1CCC(NC(C)=O)C1.
What is the InChIKey of N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LWFVPHNEHADZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6(10)9(14)12-4-3-8(5-12)11-7(2)13/h8H,1,3-5H2,2H3,(H,11,13).
What are the key properties of N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 216.67 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 130826306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).