N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide

C11H18N2O2 — CID 3388786

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide
SMILESCCC(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H18N2O2/c1-4-10(15)13-12-8-5-9(14)7-11(2,3)6-8/h5,12H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyZCBKEQJZRRTQKH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.29
Rot. Bonds3

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide (PubChem CID 3388786) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide
PubChem CID3388786
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide
SMILESCCC(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H18N2O2/c1-4-10(15)13-12-8-5-9(14)7-11(2,3)6-8/h5,12H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyZCBKEQJZRRTQKH-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)propanehydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide (CID 3388786) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide is CCC(=O)NNC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide?
The InChIKey is ZCBKEQJZRRTQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-10(15)13-12-8-5-9(14)7-11(2,3)6-8/h5,12H,4,6-7H2,1-3H3,(H,13,15).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide has a molecular weight of 210.28 g/mol, XLogP of 1.29, 3 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)propanehydrazide is sourced from PubChem (CID 3388786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).