N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide

C16H20N2O3 — CID 1210393

IUPACN'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC2=CCC(C)(C)CC2=O)c1O
InChIInChI=1S/C16H20N2O3/c1-10-5-4-6-11(14(10)20)15(21)18-17-12-7-8-16(2,3)9-13(12)19/h4-7,17,20H,8-9H2,1-3H3,(H,18,21)
InChIKeyJKMCOANIPQXPPT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds3

About N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide

N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide (PubChem CID 1210393) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide
PubChem CID1210393
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC2=CCC(C)(C)CC2=O)c1O
InChIInChI=1S/C16H20N2O3/c1-10-5-4-6-11(14(10)20)15(21)18-17-12-7-8-16(2,3)9-13(12)19/h4-7,17,20H,8-9H2,1-3H3,(H,18,21)
InChIKeyJKMCOANIPQXPPT-UHFFFAOYSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
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'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide?
The IUPAC name of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide (CID 1210393) is N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide.
What is the SMILES notation for N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide?
The canonical SMILES for N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC2=CCC(C)(C)CC2=O)c1O.
What is the InChIKey of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide?
The InChIKey is JKMCOANIPQXPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-5-4-6-11(14(10)20)15(21)18-17-12-7-8-16(2,3)9-13(12)19/h4-7,17,20H,8-9H2,1-3H3,(H,18,21).
What are the key properties of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide?
N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-hydroxy-3-methylbenzohydrazide is sourced from PubChem (CID 1210393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).