N-[(Z)-2-chloroethenyl]acetamide

C4H6ClNO — CID 55298580

IUPACN-[(Z)-2-chloroethenyl]acetamide
SMILESCC(=O)N/C=C\Cl
InChIInChI=1S/C4H6ClNO/c1-4(7)6-3-2-5/h2-3H,1H3,(H,6,7)/b3-2-
InChIKeyMIRXTJYOXFJZME-IHWYPQMZSA-N
MW119.55 g/mol
LogP0.83
Rot. Bonds1

About N-[(Z)-2-chloroethenyl]acetamide

N-[(Z)-2-chloroethenyl]acetamide (PubChem CID 55298580) has the molecular formula C4H6ClNO and a molecular weight of 119.55 g/mol. Its IUPAC name is N-[(Z)-2-chloroethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-chloroethenyl]acetamide
PubChem CID55298580
Molecular FormulaC4H6ClNO
Molecular Weight119.55 g/mol
Exact Mass119.01
IUPAC NameN-[(Z)-2-chloroethenyl]acetamide
SMILESCC(=O)N/C=C\Cl
InChIInChI=1S/C4H6ClNO/c1-4(7)6-3-2-5/h2-3H,1H3,(H,6,7)/b3-2-
InChIKeyMIRXTJYOXFJZME-IHWYPQMZSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-chloroethenyl]acetamide?
The IUPAC name of N-[(Z)-2-chloroethenyl]acetamide (CID 55298580) is N-[(Z)-2-chloroethenyl]acetamide.
What is the SMILES notation for N-[(Z)-2-chloroethenyl]acetamide?
The canonical SMILES for N-[(Z)-2-chloroethenyl]acetamide is CC(=O)N/C=C\Cl.
What is the InChIKey of N-[(Z)-2-chloroethenyl]acetamide?
The InChIKey is MIRXTJYOXFJZME-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H6ClNO/c1-4(7)6-3-2-5/h2-3H,1H3,(H,6,7)/b3-2-.
What are the key properties of N-[(Z)-2-chloroethenyl]acetamide?
N-[(Z)-2-chloroethenyl]acetamide has a molecular weight of 119.55 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-chloroethenyl]acetamide is sourced from PubChem (CID 55298580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).