6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide

C9H14N2O2 — CID 151394217

IUPAC6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide
SMILESCOC1(C)C=CC=CC1C(=O)NN
InChIInChI=1S/C9H14N2O2/c1-9(13-2)6-4-3-5-7(9)8(12)11-10/h3-7H,10H2,1-2H3,(H,11,12)
InChIKeyOVCDZRLOPFQAFK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.12
Rot. Bonds2

About 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide

6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide (PubChem CID 151394217) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide.

Molecular Properties

Compound Name6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide
PubChem CID151394217
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide
SMILESCOC1(C)C=CC=CC1C(=O)NN
InChIInChI=1S/C9H14N2O2/c1-9(13-2)6-4-3-5-7(9)8(12)11-10/h3-7H,10H2,1-2H3,(H,11,12)
InChIKeyOVCDZRLOPFQAFK-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.12
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

1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide
CID 66811964
6-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 67028805
methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid
CID 69362107
(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
CID 141274704
6-methyl-6-[[(2S)-oxiran-2-yl]methoxy]cyclohexa-2,4-diene-1-carboxamide
CID 87956536
6,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 150573434
6,6-dimethylcyclohexa-2,4-diene-1-carbonyl chloride
CID 19367926
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037
1-(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 157098442
6-benzoyl-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 159234773
(1,6-dimethylcyclohexa-2,4-dien-1-yl) 2,2,2-trichloroacetate
CID 175877756

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide?
The IUPAC name of 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide (CID 151394217) is 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide.
What is the SMILES notation for 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide?
The canonical SMILES for 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide is COC1(C)C=CC=CC1C(=O)NN.
What is the InChIKey of 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide?
The InChIKey is OVCDZRLOPFQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(13-2)6-4-3-5-7(9)8(12)11-10/h3-7H,10H2,1-2H3,(H,11,12).
What are the key properties of 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide?
6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide has a molecular weight of 182.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide is sourced from PubChem (CID 151394217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).