1-propoxybut-3-en-2-ylhydrazine

C7H16N2O — CID 105209911

IUPAC1-propoxybut-3-en-2-ylhydrazine
SMILESC=CC(COCCC)NN
InChIInChI=1S/C7H16N2O/c1-3-5-10-6-7(4-2)9-8/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyRXQXBMAWLBLAAF-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.43
Rot. Bonds6

About 1-propoxybut-3-en-2-ylhydrazine

1-propoxybut-3-en-2-ylhydrazine (PubChem CID 105209911) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-propoxybut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-propoxybut-3-en-2-ylhydrazine
PubChem CID105209911
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-propoxybut-3-en-2-ylhydrazine
SMILESC=CC(COCCC)NN
InChIInChI=1S/C7H16N2O/c1-3-5-10-6-7(4-2)9-8/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyRXQXBMAWLBLAAF-UHFFFAOYSA-N
XLogP0.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.43
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-propoxybut-3-en-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-propoxybut-3-en-2-ylhydrazine?
The IUPAC name of 1-propoxybut-3-en-2-ylhydrazine (CID 105209911) is 1-propoxybut-3-en-2-ylhydrazine.
What is the SMILES notation for 1-propoxybut-3-en-2-ylhydrazine?
The canonical SMILES for 1-propoxybut-3-en-2-ylhydrazine is C=CC(COCCC)NN.
What is the InChIKey of 1-propoxybut-3-en-2-ylhydrazine?
The InChIKey is RXQXBMAWLBLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-5-10-6-7(4-2)9-8/h4,7,9H,2-3,5-6,8H2,1H3.
What are the key properties of 1-propoxybut-3-en-2-ylhydrazine?
1-propoxybut-3-en-2-ylhydrazine has a molecular weight of 144.22 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxybut-3-en-2-ylhydrazine is sourced from PubChem (CID 105209911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).