N-[(E)-3-chloroprop-2-enyl]methanimine

C4H6ClN — CID 18710620

IUPACN-[(E)-3-chloroprop-2-enyl]methanimine
SMILESC=NC/C=C/Cl
InChIInChI=1S/C4H6ClN/c1-6-4-2-3-5/h2-3H,1,4H2/b3-2+
InChIKeyALHVPUBOUCMBQI-NSCUHMNNSA-N
MW103.55 g/mol
LogP1.44
Rot. Bonds2

About N-[(E)-3-chloroprop-2-enyl]methanimine

N-[(E)-3-chloroprop-2-enyl]methanimine (PubChem CID 18710620) has the molecular formula C4H6ClN and a molecular weight of 103.55 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]methanimine
PubChem CID18710620
Molecular FormulaC4H6ClN
Molecular Weight103.55 g/mol
Exact Mass103.02
IUPAC NameN-[(E)-3-chloroprop-2-enyl]methanimine
SMILESC=NC/C=C/Cl
InChIInChI=1S/C4H6ClN/c1-6-4-2-3-5/h2-3H,1,4H2/b3-2+
InChIKeyALHVPUBOUCMBQI-NSCUHMNNSA-N
XLogP1.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.55
LogP ≤ 51.44
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-[(E)-3-chloroprop-2-enyl]methanimine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]methanimine (CID 18710620) is N-[(E)-3-chloroprop-2-enyl]methanimine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]methanimine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]methanimine is C=NC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]methanimine?
The InChIKey is ALHVPUBOUCMBQI-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H6ClN/c1-6-4-2-3-5/h2-3H,1,4H2/b3-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]methanimine?
N-[(E)-3-chloroprop-2-enyl]methanimine has a molecular weight of 103.55 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]methanimine is sourced from PubChem (CID 18710620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).