N-prop-1-enylmethanimidoyl chloride

C4H6ClN — CID 91249375

IUPACN-prop-1-enylmethanimidoyl chloride
SMILESCC=C/N=C/Cl
InChIInChI=1S/C4H6ClN/c1-2-3-6-4-5/h2-4H,1H3/b3-2?,6-4+
InChIKeyDEUBEXWWMIIVBF-KMSZJSRBSA-N
MW103.55 g/mol
LogP1.79
Rot. Bonds1

About N-prop-1-enylmethanimidoyl chloride

N-prop-1-enylmethanimidoyl chloride (PubChem CID 91249375) has the molecular formula C4H6ClN and a molecular weight of 103.55 g/mol. Its IUPAC name is N-prop-1-enylmethanimidoyl chloride.

Molecular Properties

Compound NameN-prop-1-enylmethanimidoyl chloride
PubChem CID91249375
Molecular FormulaC4H6ClN
Molecular Weight103.55 g/mol
Exact Mass103.02
IUPAC NameN-prop-1-enylmethanimidoyl chloride
SMILESCC=C/N=C/Cl
InChIInChI=1S/C4H6ClN/c1-2-3-6-4-5/h2-4H,1H3/b3-2?,6-4+
InChIKeyDEUBEXWWMIIVBF-KMSZJSRBSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.55
LogP ≤ 51.79
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-enylmethanimidoyl chloride?
The IUPAC name of N-prop-1-enylmethanimidoyl chloride (CID 91249375) is N-prop-1-enylmethanimidoyl chloride.
What is the SMILES notation for N-prop-1-enylmethanimidoyl chloride?
The canonical SMILES for N-prop-1-enylmethanimidoyl chloride is CC=C/N=C/Cl.
What is the InChIKey of N-prop-1-enylmethanimidoyl chloride?
The InChIKey is DEUBEXWWMIIVBF-KMSZJSRBSA-N. The full InChI is InChI=1S/C4H6ClN/c1-2-3-6-4-5/h2-4H,1H3/b3-2?,6-4+.
What are the key properties of N-prop-1-enylmethanimidoyl chloride?
N-prop-1-enylmethanimidoyl chloride has a molecular weight of 103.55 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylmethanimidoyl chloride is sourced from PubChem (CID 91249375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).