1-chloropropan-2-ylidenehydrazine

C3H7ClN2 — CID 74001816

IUPAC1-chloropropan-2-ylidenehydrazine
SMILESCC(CCl)=NN
InChIInChI=1S/C3H7ClN2/c1-3(2-4)6-5/h2,5H2,1H3
InChIKeyJLAWCWNIGVMJLI-UHFFFAOYSA-N
MW106.56 g/mol
LogP0.56
Rot. Bonds1

About 1-chloropropan-2-ylidenehydrazine

1-chloropropan-2-ylidenehydrazine (PubChem CID 74001816) has the molecular formula C3H7ClN2 and a molecular weight of 106.56 g/mol. Its IUPAC name is 1-chloropropan-2-ylidenehydrazine.

Molecular Properties

Compound Name1-chloropropan-2-ylidenehydrazine
PubChem CID74001816
Molecular FormulaC3H7ClN2
Molecular Weight106.56 g/mol
Exact Mass106.03
IUPAC Name1-chloropropan-2-ylidenehydrazine
SMILESCC(CCl)=NN
InChIInChI=1S/C3H7ClN2/c1-3(2-4)6-5/h2,5H2,1H3
InChIKeyJLAWCWNIGVMJLI-UHFFFAOYSA-N
XLogP0.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.56
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloropropan-2-ylidenehydrazine?
The IUPAC name of 1-chloropropan-2-ylidenehydrazine (CID 74001816) is 1-chloropropan-2-ylidenehydrazine.
What is the SMILES notation for 1-chloropropan-2-ylidenehydrazine?
The canonical SMILES for 1-chloropropan-2-ylidenehydrazine is CC(CCl)=NN.
What is the InChIKey of 1-chloropropan-2-ylidenehydrazine?
The InChIKey is JLAWCWNIGVMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClN2/c1-3(2-4)6-5/h2,5H2,1H3.
What are the key properties of 1-chloropropan-2-ylidenehydrazine?
1-chloropropan-2-ylidenehydrazine has a molecular weight of 106.56 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropan-2-ylidenehydrazine is sourced from PubChem (CID 74001816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).