8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide

C18H20N2O2 — CID 70895529

IUPAC8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide
SMILESCOC1=C(C2=CCCc3ccc(C(=O)NN)cc32)CCC=C1
InChIInChI=1S/C18H20N2O2/c1-22-17-8-3-2-6-15(17)14-7-4-5-12-9-10-13(11-16(12)14)18(21)20-19/h3,7-11H,2,4-6,19H2,1H3,(H,20,21)
InChIKeyNNRRTUUEEJHRLK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.87
Rot. Bonds3

About 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide

8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide (PubChem CID 70895529) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound Name8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide
PubChem CID70895529
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide
SMILESCOC1=C(C2=CCCc3ccc(C(=O)NN)cc32)CCC=C1
InChIInChI=1S/C18H20N2O2/c1-22-17-8-3-2-6-15(17)14-7-4-5-12-9-10-13(11-16(12)14)18(21)20-19/h3,7-11H,2,4-6,19H2,1H3,(H,20,21)
InChIKeyNNRRTUUEEJHRLK-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2-fluoro-4-methoxyphenyl)-5,6-dihydronaphthalene-2-carbohydrazide
CID 70895520
N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 25190380
methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407203
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 89076920
methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
CID 58406598
N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406775
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406897
N-(diaminomethylidene)-8-[2-(hydroxy-dimethyl-oxo-λ6-sulfanyl)phenyl]-5,6-dihydronaphthalene-2-carboxamide
CID 146033407
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
8-[3-(hydroxymethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407073
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide?
The IUPAC name of 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide (CID 70895529) is 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide.
What is the SMILES notation for 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide?
The canonical SMILES for 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide is COC1=C(C2=CCCc3ccc(C(=O)NN)cc32)CCC=C1.
What is the InChIKey of 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide?
The InChIKey is NNRRTUUEEJHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-8-3-2-6-15(17)14-7-4-5-12-9-10-13(11-16(12)14)18(21)20-19/h3,7-11H,2,4-6,19H2,1H3,(H,20,21).
What are the key properties of 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide?
8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide has a molecular weight of 296.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxycyclohexa-1,3-dien-1-yl)-5,6-dihydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 70895529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).