11-acetyltetradec-11-enehydrazide

C16H30N2O2 — CID 122685105

IUPAC11-acetyltetradec-11-enehydrazide
SMILESCCC=C(CCCCCCCCCC(=O)NN)C(C)=O
InChIInChI=1S/C16H30N2O2/c1-3-11-15(14(2)19)12-9-7-5-4-6-8-10-13-16(20)18-17/h11H,3-10,12-13,17H2,1-2H3,(H,18,20)
InChIKeyAGIRVGZYZSPWQI-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.41
Rot. Bonds12

About 11-acetyltetradec-11-enehydrazide

11-acetyltetradec-11-enehydrazide (PubChem CID 122685105) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 11-acetyltetradec-11-enehydrazide.

Molecular Properties

Compound Name11-acetyltetradec-11-enehydrazide
PubChem CID122685105
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name11-acetyltetradec-11-enehydrazide
SMILESCCC=C(CCCCCCCCCC(=O)NN)C(C)=O
InChIInChI=1S/C16H30N2O2/c1-3-11-15(14(2)19)12-9-7-5-4-6-8-10-13-16(20)18-17/h11H,3-10,12-13,17H2,1-2H3,(H,18,20)
InChIKeyAGIRVGZYZSPWQI-UHFFFAOYSA-N
XLogP3.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 11-acetyltetradec-11-enehydrazide with MolForge

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

Launch Full Analysis

Related Compounds

hexanedihydrazide;pentanedihydrazide
CID 157195533
12-hydroxydodecanehydrazide
CID 12718243
5-oxohexanehydrazide
CID 126993835
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
(E)-octadec-9-enehydrazide
CID 6281873
nonadeca-8,12-dienehydrazide
CID 150104072
11-octadecylsulfanylundecanehydrazide
CID 18183822
(3E)-3-propylideneheptane-2,5-dione
CID 134924254
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195
(13-hydrazinyl-13-oxotridecyl) 2-methylprop-2-enoate
CID 87973462
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432

Frequently Asked Questions

What is the IUPAC name of 11-acetyltetradec-11-enehydrazide?
The IUPAC name of 11-acetyltetradec-11-enehydrazide (CID 122685105) is 11-acetyltetradec-11-enehydrazide.
What is the SMILES notation for 11-acetyltetradec-11-enehydrazide?
The canonical SMILES for 11-acetyltetradec-11-enehydrazide is CCC=C(CCCCCCCCCC(=O)NN)C(C)=O.
What is the InChIKey of 11-acetyltetradec-11-enehydrazide?
The InChIKey is AGIRVGZYZSPWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-11-15(14(2)19)12-9-7-5-4-6-8-10-13-16(20)18-17/h11H,3-10,12-13,17H2,1-2H3,(H,18,20).
What are the key properties of 11-acetyltetradec-11-enehydrazide?
11-acetyltetradec-11-enehydrazide has a molecular weight of 282.43 g/mol, XLogP of 3.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetyltetradec-11-enehydrazide is sourced from PubChem (CID 122685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).