propylhydrazine;hydrate

C3H12N2O — CID 21446947

IUPACpropylhydrazine;hydrate
SMILESCCCNN.O
InChIInChI=1S/C3H10N2.H2O/c1-2-3-5-4;/h5H,2-4H2,1H3;1H2
InChIKeyFOCCUBGOMLCCOP-UHFFFAOYSA-N
MW92.14 g/mol
LogP-0.96
Rot. Bonds2

About propylhydrazine;hydrate

propylhydrazine;hydrate (PubChem CID 21446947) has the molecular formula C3H12N2O and a molecular weight of 92.14 g/mol. Its IUPAC name is propylhydrazine;hydrate.

Molecular Properties

Compound Namepropylhydrazine;hydrate
PubChem CID21446947
Molecular FormulaC3H12N2O
Molecular Weight92.14 g/mol
Exact Mass92.09
IUPAC Namepropylhydrazine;hydrate
SMILESCCCNN.O
InChIInChI=1S/C3H10N2.H2O/c1-2-3-5-4;/h5H,2-4H2,1H3;1H2
InChIKeyFOCCUBGOMLCCOP-UHFFFAOYSA-N
XLogP-0.96
TPSA69.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 propylhydrazine;hydrate?
The IUPAC name of propylhydrazine;hydrate (CID 21446947) is propylhydrazine;hydrate.
What is the SMILES notation for propylhydrazine;hydrate?
The canonical SMILES for propylhydrazine;hydrate is CCCNN.O.
What is the InChIKey of propylhydrazine;hydrate?
The InChIKey is FOCCUBGOMLCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.H2O/c1-2-3-5-4;/h5H,2-4H2,1H3;1H2.
What are the key properties of propylhydrazine;hydrate?
propylhydrazine;hydrate has a molecular weight of 92.14 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylhydrazine;hydrate is sourced from PubChem (CID 21446947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).