2-cyano-N-propylacetohydrazide

C6H11N3O — CID 89355017

IUPAC2-cyano-N-propylacetohydrazide
SMILESCCCN(N)C(=O)CC#N
InChIInChI=1S/C6H11N3O/c1-2-5-9(8)6(10)3-4-7/h2-3,5,8H2,1H3
InChIKeyOWNQBPURXIHLRY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds3

About 2-cyano-N-propylacetohydrazide

2-cyano-N-propylacetohydrazide (PubChem CID 89355017) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-cyano-N-propylacetohydrazide.

Molecular Properties

Compound Name2-cyano-N-propylacetohydrazide
PubChem CID89355017
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-cyano-N-propylacetohydrazide
SMILESCCCN(N)C(=O)CC#N
InChIInChI=1S/C6H11N3O/c1-2-5-9(8)6(10)3-4-7/h2-3,5,8H2,1H3
InChIKeyOWNQBPURXIHLRY-UHFFFAOYSA-N
XLogP0.01
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-cyano-N-propylacetohydrazide?
The IUPAC name of 2-cyano-N-propylacetohydrazide (CID 89355017) is 2-cyano-N-propylacetohydrazide.
What is the SMILES notation for 2-cyano-N-propylacetohydrazide?
The canonical SMILES for 2-cyano-N-propylacetohydrazide is CCCN(N)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-propylacetohydrazide?
The InChIKey is OWNQBPURXIHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-5-9(8)6(10)3-4-7/h2-3,5,8H2,1H3.
What are the key properties of 2-cyano-N-propylacetohydrazide?
2-cyano-N-propylacetohydrazide has a molecular weight of 141.17 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-propylacetohydrazide is sourced from PubChem (CID 89355017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).