N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide

C13H22N2O3 — CID 3134448

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide
SMILESCC(O)CCC(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C13H22N2O3/c1-9(16)4-5-12(18)15-14-10-6-11(17)8-13(2,3)7-10/h6,9,14,16H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyMCQCYUGGVLLXFH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.04
Rot. Bonds5

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide (PubChem CID 3134448) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide
PubChem CID3134448
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide
SMILESCC(O)CCC(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C13H22N2O3/c1-9(16)4-5-12(18)15-14-10-6-11(17)8-13(2,3)7-10/h6,9,14,16H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyMCQCYUGGVLLXFH-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-4-hydroxypentanehydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide (CID 3134448) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide is CC(O)CCC(=O)NNC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide?
The InChIKey is MCQCYUGGVLLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(16)4-5-12(18)15-14-10-6-11(17)8-13(2,3)7-10/h6,9,14,16H,4-5,7-8H2,1-3H3,(H,15,18).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide has a molecular weight of 254.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-hydroxypentanehydrazide is sourced from PubChem (CID 3134448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).