N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide

C19H20N2O3 — CID 3285978

IUPACN'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide
SMILESCC1(C)C=C(NNC(=O)c2cc3ccccc3cc2O)CC(=O)C1
InChIInChI=1S/C19H20N2O3/c1-19(2)10-14(9-15(22)11-19)20-21-18(24)16-7-12-5-3-4-6-13(12)8-17(16)23/h3-8,10,20,23H,9,11H2,1-2H3,(H,21,24)
InChIKeyXFCSKYAQHQSWCK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.05
Rot. Bonds3

About N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide

N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide (PubChem CID 3285978) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide
PubChem CID3285978
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide
SMILESCC1(C)C=C(NNC(=O)c2cc3ccccc3cc2O)CC(=O)C1
InChIInChI=1S/C19H20N2O3/c1-19(2)10-14(9-15(22)11-19)20-21-18(24)16-7-12-5-3-4-6-13(12)8-17(16)23/h3-8,10,20,23H,9,11H2,1-2H3,(H,21,24)
InChIKeyXFCSKYAQHQSWCK-UHFFFAOYSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.05
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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Related Compounds

3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide
CID 3613240
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
N'-butyl-3-hydroxynaphthalene-2-carbohydrazide
CID 118418396
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 115769327
3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
CID 129431751
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide
CID 725493
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 80710393

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide?
The IUPAC name of N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide (CID 3285978) is N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide?
The canonical SMILES for N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide is CC1(C)C=C(NNC(=O)c2cc3ccccc3cc2O)CC(=O)C1.
What is the InChIKey of N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide?
The InChIKey is XFCSKYAQHQSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2)10-14(9-15(22)11-19)20-21-18(24)16-7-12-5-3-4-6-13(12)8-17(16)23/h3-8,10,20,23H,9,11H2,1-2H3,(H,21,24).
What are the key properties of N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide?
N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide has a molecular weight of 324.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide is sourced from PubChem (CID 3285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).