3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide

C18H20N2O2 — CID 3613240

IUPAC3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide
SMILESCC1CC=C(NNC(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H20N2O2/c1-12-6-8-15(9-7-12)19-20-18(22)16-10-13-4-2-3-5-14(13)11-17(16)21/h2-5,8,10-12,19,21H,6-7,9H2,1H3,(H,20,22)
InChIKeyMWXKEAFERGZXPV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.48
Rot. Bonds3

About 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide

3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide (PubChem CID 3613240) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide
PubChem CID3613240
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide
SMILESCC1CC=C(NNC(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C18H20N2O2/c1-12-6-8-15(9-7-12)19-20-18(22)16-10-13-4-2-3-5-14(13)11-17(16)21/h2-5,8,10-12,19,21H,6-7,9H2,1H3,(H,20,22)
InChIKeyMWXKEAFERGZXPV-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N'-[(4R)-4-methylcyclohexen-1-yl]benzohydrazide
CID 2350058
4-methyl-N'-(4-methylcyclohexen-1-yl)benzohydrazide
CID 4621404
N'-(3,3-dimethyl-5-oxocyclohexen-1-yl)-3-hydroxynaphthalene-2-carbohydrazide
CID 3285978
3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
CID 129431751
6-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid
CID 45034139
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
N-(1-cyclobutylethyl)-3-hydroxynaphthalene-2-carboxamide
CID 115769307
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2-methyl-N'-[(4R)-4-phenylcyclohexen-1-yl]furan-3-carbohydrazide
CID 2386188
N'-butyl-3-hydroxynaphthalene-2-carbohydrazide
CID 118418396

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide?
The IUPAC name of 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide (CID 3613240) is 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide?
The canonical SMILES for 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide is CC1CC=C(NNC(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide?
The InChIKey is MWXKEAFERGZXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-6-8-15(9-7-12)19-20-18(22)16-10-13-4-2-3-5-14(13)11-17(16)21/h2-5,8,10-12,19,21H,6-7,9H2,1H3,(H,20,22).
What are the key properties of 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide?
3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide has a molecular weight of 296.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 3613240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).