N-chloroprop-2-en-1-amine

C3H6ClN — CID 12815214

IUPACN-chloroprop-2-en-1-amine
SMILESC=CCNCl
InChIInChI=1S/C3H6ClN/c1-2-3-5-4/h2,5H,1,3H2
InChIKeyJZMINLWLICGHKH-UHFFFAOYSA-N
MW91.54 g/mol
LogP0.92
Rot. Bonds2

About N-chloroprop-2-en-1-amine

N-chloroprop-2-en-1-amine (PubChem CID 12815214) has the molecular formula C3H6ClN and a molecular weight of 91.54 g/mol. Its IUPAC name is N-chloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-chloroprop-2-en-1-amine
PubChem CID12815214
Molecular FormulaC3H6ClN
Molecular Weight91.54 g/mol
Exact Mass91.02
IUPAC NameN-chloroprop-2-en-1-amine
SMILESC=CCNCl
InChIInChI=1S/C3H6ClN/c1-2-3-5-4/h2,5H,1,3H2
InChIKeyJZMINLWLICGHKH-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.54
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloroprop-2-en-1-amine?
The IUPAC name of N-chloroprop-2-en-1-amine (CID 12815214) is N-chloroprop-2-en-1-amine.
What is the SMILES notation for N-chloroprop-2-en-1-amine?
The canonical SMILES for N-chloroprop-2-en-1-amine is C=CCNCl.
What is the InChIKey of N-chloroprop-2-en-1-amine?
The InChIKey is JZMINLWLICGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClN/c1-2-3-5-4/h2,5H,1,3H2.
What are the key properties of N-chloroprop-2-en-1-amine?
N-chloroprop-2-en-1-amine has a molecular weight of 91.54 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloroprop-2-en-1-amine is sourced from PubChem (CID 12815214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).