(Z)-1,3-dichloroprop-1-en-2-amine

C3H5Cl2N — CID 143383463

IUPAC(Z)-1,3-dichloroprop-1-en-2-amine
SMILESN/C(=C\Cl)CCl
InChIInChI=1S/C3H5Cl2N/c4-1-3(6)2-5/h1H,2,6H2/b3-1-
InChIKeyUGWWCXPBQZPBFQ-IWQZZHSRSA-N
MW125.99 g/mol
LogP1.26
Rot. Bonds1

About (Z)-1,3-dichloroprop-1-en-2-amine

(Z)-1,3-dichloroprop-1-en-2-amine (PubChem CID 143383463) has the molecular formula C3H5Cl2N and a molecular weight of 125.99 g/mol. Its IUPAC name is (Z)-1,3-dichloroprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1,3-dichloroprop-1-en-2-amine
PubChem CID143383463
Molecular FormulaC3H5Cl2N
Molecular Weight125.99 g/mol
Exact Mass124.98
IUPAC Name(Z)-1,3-dichloroprop-1-en-2-amine
SMILESN/C(=C\Cl)CCl
InChIInChI=1S/C3H5Cl2N/c4-1-3(6)2-5/h1H,2,6H2/b3-1-
InChIKeyUGWWCXPBQZPBFQ-IWQZZHSRSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.99
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-dichloroprop-1-en-2-amine?
The IUPAC name of (Z)-1,3-dichloroprop-1-en-2-amine (CID 143383463) is (Z)-1,3-dichloroprop-1-en-2-amine.
What is the SMILES notation for (Z)-1,3-dichloroprop-1-en-2-amine?
The canonical SMILES for (Z)-1,3-dichloroprop-1-en-2-amine is N/C(=C\Cl)CCl.
What is the InChIKey of (Z)-1,3-dichloroprop-1-en-2-amine?
The InChIKey is UGWWCXPBQZPBFQ-IWQZZHSRSA-N. The full InChI is InChI=1S/C3H5Cl2N/c4-1-3(6)2-5/h1H,2,6H2/b3-1-.
What are the key properties of (Z)-1,3-dichloroprop-1-en-2-amine?
(Z)-1,3-dichloroprop-1-en-2-amine has a molecular weight of 125.99 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-dichloroprop-1-en-2-amine is sourced from PubChem (CID 143383463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).