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

C4H6ClNO — CID 18684085

IUPAC(E)-3-chloro-2-methylprop-2-enamide
SMILESC/C(=C\Cl)C(N)=O
InChIInChI=1S/C4H6ClNO/c1-3(2-5)4(6)7/h2H,1H3,(H2,6,7)/b3-2+
InChIKeyIZXWOWLWJRAYNI-NSCUHMNNSA-N
MW119.55 g/mol
LogP0.61
Rot. Bonds1

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

(E)-3-chloro-2-methylprop-2-enamide (PubChem CID 18684085) has the molecular formula C4H6ClNO and a molecular weight of 119.55 g/mol. Its IUPAC name is (E)-3-chloro-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-chloro-2-methylprop-2-enamide
PubChem CID18684085
Molecular FormulaC4H6ClNO
Molecular Weight119.55 g/mol
Exact Mass119.01
IUPAC Name(E)-3-chloro-2-methylprop-2-enamide
SMILESC/C(=C\Cl)C(N)=O
InChIInChI=1S/C4H6ClNO/c1-3(2-5)4(6)7/h2H,1H3,(H2,6,7)/b3-2+
InChIKeyIZXWOWLWJRAYNI-NSCUHMNNSA-N
XLogP0.61
TPSA43.09 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-2-methylprop-2-enamide?
The IUPAC name of (E)-3-chloro-2-methylprop-2-enamide (CID 18684085) is (E)-3-chloro-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-chloro-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-chloro-2-methylprop-2-enamide is C/C(=C\Cl)C(N)=O.
What is the InChIKey of (E)-3-chloro-2-methylprop-2-enamide?
The InChIKey is IZXWOWLWJRAYNI-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H6ClNO/c1-3(2-5)4(6)7/h2H,1H3,(H2,6,7)/b3-2+.
What are the key properties of (E)-3-chloro-2-methylprop-2-enamide?
(E)-3-chloro-2-methylprop-2-enamide has a molecular weight of 119.55 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-2-methylprop-2-enamide is sourced from PubChem (CID 18684085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).