(E)-3-chloro-3-formamido-N-methylprop-2-enamide

C5H7ClN2O2 — CID 143302214

IUPAC(E)-3-chloro-3-formamido-N-methylprop-2-enamide
SMILESCNC(=O)/C=C(/Cl)NC=O
InChIInChI=1S/C5H7ClN2O2/c1-7-5(10)2-4(6)8-3-9/h2-3H,1H3,(H,7,10)(H,8,9)/b4-2-
InChIKeyRFYIWCFDZZXOTD-RQOWECAXSA-N
MW162.58 g/mol
LogP-0.44
Rot. Bonds3

About (E)-3-chloro-3-formamido-N-methylprop-2-enamide

(E)-3-chloro-3-formamido-N-methylprop-2-enamide (PubChem CID 143302214) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is (E)-3-chloro-3-formamido-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-chloro-3-formamido-N-methylprop-2-enamide
PubChem CID143302214
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name(E)-3-chloro-3-formamido-N-methylprop-2-enamide
SMILESCNC(=O)/C=C(/Cl)NC=O
InChIInChI=1S/C5H7ClN2O2/c1-7-5(10)2-4(6)8-3-9/h2-3H,1H3,(H,7,10)(H,8,9)/b4-2-
InChIKeyRFYIWCFDZZXOTD-RQOWECAXSA-N
XLogP-0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-3-chloro-N-methylprop-2-enamide
CID 88269369
(Z)-3-amino-3-formamido-N-methylprop-2-enamide
CID 129112313
(E)-3-acetamido-3-chloro-N-methylprop-2-enamide
CID 155185457
(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide
CID 174324474

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-3-formamido-N-methylprop-2-enamide?
The IUPAC name of (E)-3-chloro-3-formamido-N-methylprop-2-enamide (CID 143302214) is (E)-3-chloro-3-formamido-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-chloro-3-formamido-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-chloro-3-formamido-N-methylprop-2-enamide is CNC(=O)/C=C(/Cl)NC=O.
What is the InChIKey of (E)-3-chloro-3-formamido-N-methylprop-2-enamide?
The InChIKey is RFYIWCFDZZXOTD-RQOWECAXSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c1-7-5(10)2-4(6)8-3-9/h2-3H,1H3,(H,7,10)(H,8,9)/b4-2-.
What are the key properties of (E)-3-chloro-3-formamido-N-methylprop-2-enamide?
(E)-3-chloro-3-formamido-N-methylprop-2-enamide has a molecular weight of 162.58 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-3-formamido-N-methylprop-2-enamide is sourced from PubChem (CID 143302214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).