2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide

C11H14N2O3 — CID 116847425

IUPAC2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14N2O3/c1-13(2)12-11(14)6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3,(H,12,14)
InChIKeyGLTVHYHRSDEZNC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.55
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide

2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide (PubChem CID 116847425) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
PubChem CID116847425
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14N2O3/c1-13(2)12-11(14)6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3,(H,12,14)
InChIKeyGLTVHYHRSDEZNC-UHFFFAOYSA-N
XLogP0.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide
CID 11770451
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
2-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 75404810
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348408
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568
2-(1,3-benzodioxol-5-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 126050691
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid
CID 601441
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide (CID 116847425) is 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is GLTVHYHRSDEZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(2)12-11(14)6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide?
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 222.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).