1,2-dichloroprop-1-en-1-amine

C3H5Cl2N — CID 140981161

IUPAC1,2-dichloroprop-1-en-1-amine
SMILESCC(Cl)=C(N)Cl
InChIInChI=1S/C3H5Cl2N/c1-2(4)3(5)6/h6H2,1H3
InChIKeyXKSGZWFCYGWULD-UHFFFAOYSA-N
MW125.99 g/mol
LogP1.61
Rot. Bonds

About 1,2-dichloroprop-1-en-1-amine

1,2-dichloroprop-1-en-1-amine (PubChem CID 140981161) has the molecular formula C3H5Cl2N and a molecular weight of 125.99 g/mol. Its IUPAC name is 1,2-dichloroprop-1-en-1-amine.

Molecular Properties

Compound Name1,2-dichloroprop-1-en-1-amine
PubChem CID140981161
Molecular FormulaC3H5Cl2N
Molecular Weight125.99 g/mol
Exact Mass124.98
IUPAC Name1,2-dichloroprop-1-en-1-amine
SMILESCC(Cl)=C(N)Cl
InChIInChI=1S/C3H5Cl2N/c1-2(4)3(5)6/h6H2,1H3
InChIKeyXKSGZWFCYGWULD-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.99
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroprop-1-en-1-amine?
The IUPAC name of 1,2-dichloroprop-1-en-1-amine (CID 140981161) is 1,2-dichloroprop-1-en-1-amine.
What is the SMILES notation for 1,2-dichloroprop-1-en-1-amine?
The canonical SMILES for 1,2-dichloroprop-1-en-1-amine is CC(Cl)=C(N)Cl.
What is the InChIKey of 1,2-dichloroprop-1-en-1-amine?
The InChIKey is XKSGZWFCYGWULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2N/c1-2(4)3(5)6/h6H2,1H3.
What are the key properties of 1,2-dichloroprop-1-en-1-amine?
1,2-dichloroprop-1-en-1-amine has a molecular weight of 125.99 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroprop-1-en-1-amine is sourced from PubChem (CID 140981161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).