2-chloro-3-methyloxirane;hydrazine

C3H9ClN2O — CID 157079115

IUPAC2-chloro-3-methyloxirane;hydrazine
SMILESCC1OC1Cl.NN
InChIInChI=1S/C3H5ClO.H4N2/c1-2-3(4)5-2;1-2/h2-3H,1H3;1-2H2
InChIKeyADHXWZZYCCKMPV-UHFFFAOYSA-N
MW124.57 g/mol
LogP-0.21
Rot. Bonds

About 2-chloro-3-methyloxirane;hydrazine

2-chloro-3-methyloxirane;hydrazine (PubChem CID 157079115) has the molecular formula C3H9ClN2O and a molecular weight of 124.57 g/mol. Its IUPAC name is 2-chloro-3-methyloxirane;hydrazine.

Molecular Properties

Compound Name2-chloro-3-methyloxirane;hydrazine
PubChem CID157079115
Molecular FormulaC3H9ClN2O
Molecular Weight124.57 g/mol
Exact Mass124.04
IUPAC Name2-chloro-3-methyloxirane;hydrazine
SMILESCC1OC1Cl.NN
InChIInChI=1S/C3H5ClO.H4N2/c1-2-3(4)5-2;1-2/h2-3H,1H3;1-2H2
InChIKeyADHXWZZYCCKMPV-UHFFFAOYSA-N
XLogP-0.21
TPSA64.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxirane;hydrazine?
The IUPAC name of 2-chloro-3-methyloxirane;hydrazine (CID 157079115) is 2-chloro-3-methyloxirane;hydrazine.
What is the SMILES notation for 2-chloro-3-methyloxirane;hydrazine?
The canonical SMILES for 2-chloro-3-methyloxirane;hydrazine is CC1OC1Cl.NN.
What is the InChIKey of 2-chloro-3-methyloxirane;hydrazine?
The InChIKey is ADHXWZZYCCKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.H4N2/c1-2-3(4)5-2;1-2/h2-3H,1H3;1-2H2.
What are the key properties of 2-chloro-3-methyloxirane;hydrazine?
2-chloro-3-methyloxirane;hydrazine has a molecular weight of 124.57 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxirane;hydrazine is sourced from PubChem (CID 157079115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).