2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide

C13H18N2O3 — CID 116844032

IUPAC2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide
SMILESCc1cc2c(cc1C(C)(C)C(=O)NN)OCCO2
InChIInChI=1S/C13H18N2O3/c1-8-6-10-11(18-5-4-17-10)7-9(8)13(2,3)12(16)15-14/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyCJYBTMNWUVVVKG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide

2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide (PubChem CID 116844032) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide
PubChem CID116844032
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide
SMILESCc1cc2c(cc1C(C)(C)C(=O)NN)OCCO2
InChIInChI=1S/C13H18N2O3/c1-8-6-10-11(18-5-4-17-10)7-9(8)13(2,3)12(16)15-14/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyCJYBTMNWUVVVKG-UHFFFAOYSA-N
XLogP1.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.03
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'}

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Related Compounds

3-amino-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 82481168
methyl 2,2-difluoro-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 105426459
2,2-dimethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110777998
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601
1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 82476704
2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
CID 116848474
2-methyl-2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115127775
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetic acid
CID 82496946
2-amino-1-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanone
CID 117395826
3,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
CID 82498713
methyl 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 116856934
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide
CID 43548135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide?
The IUPAC name of 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide (CID 116844032) is 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide.
What is the SMILES notation for 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide?
The canonical SMILES for 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide is Cc1cc2c(cc1C(C)(C)C(=O)NN)OCCO2.
What is the InChIKey of 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide?
The InChIKey is CJYBTMNWUVVVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-10-11(18-5-4-17-10)7-9(8)13(2,3)12(16)15-14/h6-7H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide?
2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide is sourced from PubChem (CID 116844032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).