2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide

C11H14N2O4 — CID 116845547

IUPAC2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide
SMILESCc1cc2c(cc1COCC(=O)NN)OCO2
InChIInChI=1S/C11H14N2O4/c1-7-2-9-10(17-6-16-9)3-8(7)4-15-5-11(14)13-12/h2-3H,4-6,12H2,1H3,(H,13,14)
InChIKeyAIYCTJRDTDHKGN-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.23
Rot. Bonds4

About 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide

2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide (PubChem CID 116845547) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide.

Molecular Properties

Compound Name2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide
PubChem CID116845547
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide
SMILESCc1cc2c(cc1COCC(=O)NN)OCO2
InChIInChI=1S/C11H14N2O4/c1-7-2-9-10(17-6-16-9)3-8(7)4-15-5-11(14)13-12/h2-3H,4-6,12H2,1H3,(H,13,14)
InChIKeyAIYCTJRDTDHKGN-UHFFFAOYSA-N
XLogP0.23
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3-benzodioxole
CID 164535841
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
CID 115156732
N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234
methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]carbamic acid
CID 115171057
2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
CID 116845553
2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide
CID 116845510
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115152763
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115180111
2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide
CID 115158478
2-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]acetamide
CID 115260297

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide?
The IUPAC name of 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide (CID 116845547) is 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide.
What is the SMILES notation for 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide?
The canonical SMILES for 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide is Cc1cc2c(cc1COCC(=O)NN)OCO2.
What is the InChIKey of 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide?
The InChIKey is AIYCTJRDTDHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-2-9-10(17-6-16-9)3-8(7)4-15-5-11(14)13-12/h2-3H,4-6,12H2,1H3,(H,13,14).
What are the key properties of 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide?
2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide has a molecular weight of 238.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide is sourced from PubChem (CID 116845547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).