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

C11H15N3O3 — CID 116848474

IUPAC2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
SMILESCc1cc2c(cc1C(N)C(=O)NN)OCCO2
InChIInChI=1S/C11H15N3O3/c1-6-4-8-9(17-3-2-16-8)5-7(6)10(12)11(15)14-13/h4-5,10H,2-3,12-13H2,1H3,(H,14,15)
InChIKeyOHUQIELHZJRLOT-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.24
Rot. Bonds2

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

2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide (PubChem CID 116848474) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
PubChem CID116848474
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
SMILESCc1cc2c(cc1C(N)C(=O)NN)OCCO2
InChIInChI=1S/C11H15N3O3/c1-6-4-8-9(17-3-2-16-8)5-7(6)10(12)11(15)14-13/h4-5,10H,2-3,12-13H2,1H3,(H,14,15)
InChIKeyOHUQIELHZJRLOT-UHFFFAOYSA-N
XLogP-0.24
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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

methyl 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 116856934
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
3,4-diamino-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 116942825
1-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 116942116
methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116947302
2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide
CID 116844032
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893
N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
CID 116847099
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
(2R)-2-amino-N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]propanamide
CID 119297717
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanehydrazide
CID 116843838

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide?
The IUPAC name of 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide (CID 116848474) is 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide.
What is the SMILES notation for 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide?
The canonical SMILES for 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide is Cc1cc2c(cc1C(N)C(=O)NN)OCCO2.
What is the InChIKey of 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide?
The InChIKey is OHUQIELHZJRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-4-8-9(17-3-2-16-8)5-7(6)10(12)11(15)14-13/h4-5,10H,2-3,12-13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide?
2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide has a molecular weight of 237.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide is sourced from PubChem (CID 116848474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).