3-methoxy-2-methylbenzohydrazide

C9H12N2O2 — CID 45091273

IUPAC3-methoxy-2-methylbenzohydrazide
SMILESCOc1cccc(C(=O)NN)c1C
InChIInChI=1S/C9H12N2O2/c1-6-7(9(12)11-10)4-3-5-8(6)13-2/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyWWFFBSDIHURYFK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.61
Rot. Bonds2

About 3-methoxy-2-methylbenzohydrazide

3-methoxy-2-methylbenzohydrazide (PubChem CID 45091273) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-methoxy-2-methylbenzohydrazide.

Molecular Properties

Compound Name3-methoxy-2-methylbenzohydrazide
PubChem CID45091273
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methoxy-2-methylbenzohydrazide
SMILESCOc1cccc(C(=O)NN)c1C
InChIInChI=1S/C9H12N2O2/c1-6-7(9(12)11-10)4-3-5-8(6)13-2/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyWWFFBSDIHURYFK-UHFFFAOYSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.61
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

2-methoxybenzohydrazide
CID 24051
methyl 3-methoxy-2-methylbenzoate
CID 12527049
2,6-dimethoxybenzohydrazide
CID 2806104
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
2,3-dimethylbenzohydrazide
CID 16790549
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-chloro-1-(3-methoxy-2-methylphenyl)propan-1-one
CID 130910393
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
(E)-2-(3-methoxy-2-methylphenyl)-3-methylpent-2-enamide
CID 142080464
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
CID 10065805
3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
CID 59016635

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylbenzohydrazide?
The IUPAC name of 3-methoxy-2-methylbenzohydrazide (CID 45091273) is 3-methoxy-2-methylbenzohydrazide.
What is the SMILES notation for 3-methoxy-2-methylbenzohydrazide?
The canonical SMILES for 3-methoxy-2-methylbenzohydrazide is COc1cccc(C(=O)NN)c1C.
What is the InChIKey of 3-methoxy-2-methylbenzohydrazide?
The InChIKey is WWFFBSDIHURYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-7(9(12)11-10)4-3-5-8(6)13-2/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-methylbenzohydrazide?
3-methoxy-2-methylbenzohydrazide has a molecular weight of 180.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylbenzohydrazide is sourced from PubChem (CID 45091273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).