2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide

C7H14N2O3 — CID 4203891

IUPAC2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide
SMILESCC1COC(C)(CC(=O)NN)O1
InChIInChI=1S/C7H14N2O3/c1-5-4-11-7(2,12-5)3-6(10)9-8/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyQKGCZHRFGAFLBK-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.48
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide

2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide (PubChem CID 4203891) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide
PubChem CID4203891
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide
SMILESCC1COC(C)(CC(=O)NN)O1
InChIInChI=1S/C7H14N2O3/c1-5-4-11-7(2,12-5)3-6(10)9-8/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyQKGCZHRFGAFLBK-UHFFFAOYSA-N
XLogP-0.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide?
The IUPAC name of 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide (CID 4203891) is 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide is CC1COC(C)(CC(=O)NN)O1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide?
The InChIKey is QKGCZHRFGAFLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5-4-11-7(2,12-5)3-6(10)9-8/h5H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide?
2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide has a molecular weight of 174.20 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide is sourced from PubChem (CID 4203891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).