3-prop-2-enylhex-5-enehydrazide

C9H16N2O — CID 176837825

IUPAC3-prop-2-enylhex-5-enehydrazide
SMILESC=CCC(CC=C)CC(=O)NN
InChIInChI=1S/C9H16N2O/c1-3-5-8(6-4-2)7-9(12)11-10/h3-4,8H,1-2,5-7,10H2,(H,11,12)
InChIKeyAUNKWGBVUUUJHS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.13
Rot. Bonds6

About 3-prop-2-enylhex-5-enehydrazide

3-prop-2-enylhex-5-enehydrazide (PubChem CID 176837825) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-prop-2-enylhex-5-enehydrazide.

Molecular Properties

Compound Name3-prop-2-enylhex-5-enehydrazide
PubChem CID176837825
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-prop-2-enylhex-5-enehydrazide
SMILESC=CCC(CC=C)CC(=O)NN
InChIInChI=1S/C9H16N2O/c1-3-5-8(6-4-2)7-9(12)11-10/h3-4,8H,1-2,5-7,10H2,(H,11,12)
InChIKeyAUNKWGBVUUUJHS-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylhex-5-enehydrazide?
The IUPAC name of 3-prop-2-enylhex-5-enehydrazide (CID 176837825) is 3-prop-2-enylhex-5-enehydrazide.
What is the SMILES notation for 3-prop-2-enylhex-5-enehydrazide?
The canonical SMILES for 3-prop-2-enylhex-5-enehydrazide is C=CCC(CC=C)CC(=O)NN.
What is the InChIKey of 3-prop-2-enylhex-5-enehydrazide?
The InChIKey is AUNKWGBVUUUJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-8(6-4-2)7-9(12)11-10/h3-4,8H,1-2,5-7,10H2,(H,11,12).
What are the key properties of 3-prop-2-enylhex-5-enehydrazide?
3-prop-2-enylhex-5-enehydrazide has a molecular weight of 168.24 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylhex-5-enehydrazide is sourced from PubChem (CID 176837825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).