(E)-octadec-9-enehydrazide

C18H36N2O — CID 6281873

IUPAC(E)-octadec-9-enehydrazide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NN
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h9-10H,2-8,11-17,19H2,1H3,(H,20,21)/b10-9+
InChIKeyGEYKZYNEWQWLTF-MDZDMXLPSA-N
MW296.50 g/mol
LogP5.01
Rot. Bonds15

About (E)-octadec-9-enehydrazide

(E)-octadec-9-enehydrazide (PubChem CID 6281873) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (E)-octadec-9-enehydrazide.

Molecular Properties

Compound Name(E)-octadec-9-enehydrazide
PubChem CID6281873
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(E)-octadec-9-enehydrazide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NN
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h9-10H,2-8,11-17,19H2,1H3,(H,20,21)/b10-9+
InChIKeyGEYKZYNEWQWLTF-MDZDMXLPSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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'}

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Related Compounds

nonadeca-8,12-dienehydrazide
CID 150104072
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-N-(aminomethyl)docos-13-enamide
CID 139970959
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
(Z)-N-chlorooctadec-9-enamide
CID 174372147
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-9-enehydrazide?
The IUPAC name of (E)-octadec-9-enehydrazide (CID 6281873) is (E)-octadec-9-enehydrazide.
What is the SMILES notation for (E)-octadec-9-enehydrazide?
The canonical SMILES for (E)-octadec-9-enehydrazide is CCCCCCCC/C=C/CCCCCCCC(=O)NN.
What is the InChIKey of (E)-octadec-9-enehydrazide?
The InChIKey is GEYKZYNEWQWLTF-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h9-10H,2-8,11-17,19H2,1H3,(H,20,21)/b10-9+.
What are the key properties of (E)-octadec-9-enehydrazide?
(E)-octadec-9-enehydrazide has a molecular weight of 296.50 g/mol, XLogP of 5.01, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-9-enehydrazide is sourced from PubChem (CID 6281873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).