N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide

C7H10ClNO2 — CID 19738539

IUPACN-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide
SMILESCC(=O)N(CC=O)C/C=C/Cl
InChIInChI=1S/C7H10ClNO2/c1-7(11)9(5-6-10)4-2-3-8/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyGXSKUWWGTLXFJM-NSCUHMNNSA-N
MW175.62 g/mol
LogP0.79
Rot. Bonds4

About N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide

N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide (PubChem CID 19738539) has the molecular formula C7H10ClNO2 and a molecular weight of 175.62 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide
PubChem CID19738539
Molecular FormulaC7H10ClNO2
Molecular Weight175.62 g/mol
Exact Mass175.04
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide
SMILESCC(=O)N(CC=O)C/C=C/Cl
InChIInChI=1S/C7H10ClNO2/c1-7(11)9(5-6-10)4-2-3-8/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyGXSKUWWGTLXFJM-NSCUHMNNSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide (CID 19738539) is N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide is CC(=O)N(CC=O)C/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide?
The InChIKey is GXSKUWWGTLXFJM-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-7(11)9(5-6-10)4-2-3-8/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide?
N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide has a molecular weight of 175.62 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 19738539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).