(Z)-3-chloro-N-methylprop-2-en-1-amine

C4H8ClN — CID 55286510

IUPAC(Z)-3-chloro-N-methylprop-2-en-1-amine
SMILESCNC/C=C\Cl
InChIInChI=1S/C4H8ClN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3/b3-2-
InChIKeyYZICGISILCYTHR-IHWYPQMZSA-N
MW105.57 g/mol
LogP0.96
Rot. Bonds2

About (Z)-3-chloro-N-methylprop-2-en-1-amine

(Z)-3-chloro-N-methylprop-2-en-1-amine (PubChem CID 55286510) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is (Z)-3-chloro-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-N-methylprop-2-en-1-amine
PubChem CID55286510
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name(Z)-3-chloro-N-methylprop-2-en-1-amine
SMILESCNC/C=C\Cl
InChIInChI=1S/C4H8ClN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3/b3-2-
InChIKeyYZICGISILCYTHR-IHWYPQMZSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-N-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-N-methylprop-2-en-1-amine (CID 55286510) is (Z)-3-chloro-N-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-N-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-N-methylprop-2-en-1-amine is CNC/C=C\Cl.
What is the InChIKey of (Z)-3-chloro-N-methylprop-2-en-1-amine?
The InChIKey is YZICGISILCYTHR-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H8ClN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3/b3-2-.
What are the key properties of (Z)-3-chloro-N-methylprop-2-en-1-amine?
(Z)-3-chloro-N-methylprop-2-en-1-amine has a molecular weight of 105.57 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-methylprop-2-en-1-amine is sourced from PubChem (CID 55286510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).