N-prop-1-en-2-ylethanimidoyl chloride

C5H8ClN — CID 89263766

IUPACN-prop-1-en-2-ylethanimidoyl chloride
SMILESC=C(C)/N=C(\C)Cl
InChIInChI=1S/C5H8ClN/c1-4(2)7-5(3)6/h1H2,2-3H3/b7-5+
InChIKeyKIEFPSQRECNGLJ-FNORWQNLSA-N
MW117.58 g/mol
LogP2.18
Rot. Bonds1

About N-prop-1-en-2-ylethanimidoyl chloride

N-prop-1-en-2-ylethanimidoyl chloride (PubChem CID 89263766) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is N-prop-1-en-2-ylethanimidoyl chloride.

Molecular Properties

Compound NameN-prop-1-en-2-ylethanimidoyl chloride
PubChem CID89263766
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC NameN-prop-1-en-2-ylethanimidoyl chloride
SMILESC=C(C)/N=C(\C)Cl
InChIInChI=1S/C5H8ClN/c1-4(2)7-5(3)6/h1H2,2-3H3/b7-5+
InChIKeyKIEFPSQRECNGLJ-FNORWQNLSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.58
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylethanimidoyl chloride?
The IUPAC name of N-prop-1-en-2-ylethanimidoyl chloride (CID 89263766) is N-prop-1-en-2-ylethanimidoyl chloride.
What is the SMILES notation for N-prop-1-en-2-ylethanimidoyl chloride?
The canonical SMILES for N-prop-1-en-2-ylethanimidoyl chloride is C=C(C)/N=C(\C)Cl.
What is the InChIKey of N-prop-1-en-2-ylethanimidoyl chloride?
The InChIKey is KIEFPSQRECNGLJ-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8ClN/c1-4(2)7-5(3)6/h1H2,2-3H3/b7-5+.
What are the key properties of N-prop-1-en-2-ylethanimidoyl chloride?
N-prop-1-en-2-ylethanimidoyl chloride has a molecular weight of 117.58 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylethanimidoyl chloride is sourced from PubChem (CID 89263766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).