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

C15H18N2O3 — CID 725493

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)c2cccc(O)c2)C1
InChIInChI=1S/C15H18N2O3/c1-15(2)8-11(7-13(19)9-15)16-17-14(20)10-4-3-5-12(18)6-10/h3-7,16,18H,8-9H2,1-2H3,(H,17,20)
InChIKeyDLRPXQGBWGQUPQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds3

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

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide (PubChem CID 725493) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide
PubChem CID725493
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)c2cccc(O)c2)C1
InChIInChI=1S/C15H18N2O3/c1-15(2)8-11(7-13(19)9-15)16-17-14(20)10-4-3-5-12(18)6-10/h3-7,16,18H,8-9H2,1-2H3,(H,17,20)
InChIKeyDLRPXQGBWGQUPQ-UHFFFAOYSA-N
XLogP1.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
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)-3-hydroxybenzohydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide (CID 725493) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide is CC1(C)CC(=O)C=C(NNC(=O)c2cccc(O)c2)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide?
The InChIKey is DLRPXQGBWGQUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)8-11(7-13(19)9-15)16-17-14(20)10-4-3-5-12(18)6-10/h3-7,16,18H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide has a molecular weight of 274.32 g/mol, XLogP of 1.90, 3 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)-3-hydroxybenzohydrazide is sourced from PubChem (CID 725493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).