N-(2-chloroacetyl)prop-2-enamide

C5H6ClNO2 — CID 20757987

IUPACN-(2-chloroacetyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)CCl
InChIInChI=1S/C5H6ClNO2/c1-2-4(8)7-5(9)3-6/h2H,1,3H2,(H,7,8,9)
InChIKeyGIMILZLCFPLSBM-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.05
Rot. Bonds2

About N-(2-chloroacetyl)prop-2-enamide

N-(2-chloroacetyl)prop-2-enamide (PubChem CID 20757987) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is N-(2-chloroacetyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)prop-2-enamide
PubChem CID20757987
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC NameN-(2-chloroacetyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)CCl
InChIInChI=1S/C5H6ClNO2/c1-2-4(8)7-5(9)3-6/h2H,1,3H2,(H,7,8,9)
InChIKeyGIMILZLCFPLSBM-UHFFFAOYSA-N
XLogP0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)prop-2-enamide?
The IUPAC name of N-(2-chloroacetyl)prop-2-enamide (CID 20757987) is N-(2-chloroacetyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloroacetyl)prop-2-enamide?
The canonical SMILES for N-(2-chloroacetyl)prop-2-enamide is C=CC(=O)NC(=O)CCl.
What is the InChIKey of N-(2-chloroacetyl)prop-2-enamide?
The InChIKey is GIMILZLCFPLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c1-2-4(8)7-5(9)3-6/h2H,1,3H2,(H,7,8,9).
What are the key properties of N-(2-chloroacetyl)prop-2-enamide?
N-(2-chloroacetyl)prop-2-enamide has a molecular weight of 147.56 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)prop-2-enamide is sourced from PubChem (CID 20757987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).