N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide

C19H32N2O2 — CID 5134273

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide
SMILESC=CCCCCCCCCC(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C19H32N2O2/c1-4-5-6-7-8-9-10-11-12-18(23)21-20-16-13-17(22)15-19(2,3)14-16/h4,13,20H,1,5-12,14-15H2,2-3H3,(H,21,23)
InChIKeySPPYNYZUSYMNPW-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.19
Rot. Bonds11

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide (PubChem CID 5134273) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide
PubChem CID5134273
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide
SMILESC=CCCCCCCCCC(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C19H32N2O2/c1-4-5-6-7-8-9-10-11-12-18(23)21-20-16-13-17(22)15-19(2,3)14-16/h4,13,20H,1,5-12,14-15H2,2-3H3,(H,21,23)
InChIKeySPPYNYZUSYMNPW-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide (CID 5134273) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide is C=CCCCCCCCCC(=O)NNC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide?
The InChIKey is SPPYNYZUSYMNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-5-6-7-8-9-10-11-12-18(23)21-20-16-13-17(22)15-19(2,3)14-16/h4,13,20H,1,5-12,14-15H2,2-3H3,(H,21,23).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide has a molecular weight of 320.48 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)undec-10-enehydrazide is sourced from PubChem (CID 5134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).