1-propoxyethenylhydrazine

C5H12N2O — CID 157287762

IUPAC1-propoxyethenylhydrazine
SMILESC=C(NN)OCCC
InChIInChI=1S/C5H12N2O/c1-3-4-8-5(2)7-6/h7H,2-4,6H2,1H3
InChIKeyHXXINQKBJCAFEF-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.35
Rot. Bonds4

About 1-propoxyethenylhydrazine

1-propoxyethenylhydrazine (PubChem CID 157287762) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-propoxyethenylhydrazine.

Molecular Properties

Compound Name1-propoxyethenylhydrazine
PubChem CID157287762
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-propoxyethenylhydrazine
SMILESC=C(NN)OCCC
InChIInChI=1S/C5H12N2O/c1-3-4-8-5(2)7-6/h7H,2-4,6H2,1H3
InChIKeyHXXINQKBJCAFEF-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-propoxyethenylhydrazine?
The IUPAC name of 1-propoxyethenylhydrazine (CID 157287762) is 1-propoxyethenylhydrazine.
What is the SMILES notation for 1-propoxyethenylhydrazine?
The canonical SMILES for 1-propoxyethenylhydrazine is C=C(NN)OCCC.
What is the InChIKey of 1-propoxyethenylhydrazine?
The InChIKey is HXXINQKBJCAFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-4-8-5(2)7-6/h7H,2-4,6H2,1H3.
What are the key properties of 1-propoxyethenylhydrazine?
1-propoxyethenylhydrazine has a molecular weight of 116.16 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxyethenylhydrazine is sourced from PubChem (CID 157287762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).