1-propoxypent-4-yn-2-ylhydrazine

C8H16N2O — CID 105210039

IUPAC1-propoxypent-4-yn-2-ylhydrazine
SMILESC#CCC(COCCC)NN
InChIInChI=1S/C8H16N2O/c1-3-5-8(10-9)7-11-6-4-2/h1,8,10H,4-7,9H2,2H3
InChIKeyNFHBRXMOKHEPMK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.27
Rot. Bonds6

About 1-propoxypent-4-yn-2-ylhydrazine

1-propoxypent-4-yn-2-ylhydrazine (PubChem CID 105210039) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-propoxypent-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-propoxypent-4-yn-2-ylhydrazine
PubChem CID105210039
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-propoxypent-4-yn-2-ylhydrazine
SMILESC#CCC(COCCC)NN
InChIInChI=1S/C8H16N2O/c1-3-5-8(10-9)7-11-6-4-2/h1,8,10H,4-7,9H2,2H3
InChIKeyNFHBRXMOKHEPMK-UHFFFAOYSA-N
XLogP0.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-propoxypent-4-yn-2-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propoxypent-4-yn-2-ylhydrazine?
The IUPAC name of 1-propoxypent-4-yn-2-ylhydrazine (CID 105210039) is 1-propoxypent-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-propoxypent-4-yn-2-ylhydrazine?
The canonical SMILES for 1-propoxypent-4-yn-2-ylhydrazine is C#CCC(COCCC)NN.
What is the InChIKey of 1-propoxypent-4-yn-2-ylhydrazine?
The InChIKey is NFHBRXMOKHEPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-5-8(10-9)7-11-6-4-2/h1,8,10H,4-7,9H2,2H3.
What are the key properties of 1-propoxypent-4-yn-2-ylhydrazine?
1-propoxypent-4-yn-2-ylhydrazine has a molecular weight of 156.23 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxypent-4-yn-2-ylhydrazine is sourced from PubChem (CID 105210039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).