2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide

C11H13N3O2 — CID 116849007

IUPAC2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1coc2ccccc12
InChIInChI=1S/C11H13N3O2/c1-14(13)11(15)10(12)8-6-16-9-5-3-2-4-7(8)9/h2-6,10H,12-13H2,1H3
InChIKeyVQQKCOABPVTRGL-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.76
Rot. Bonds2

About 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide

2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide (PubChem CID 116849007) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
PubChem CID116849007
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1coc2ccccc12
InChIInChI=1S/C11H13N3O2/c1-14(13)11(15)10(12)8-6-16-9-5-3-2-4-7(8)9/h2-6,10H,12-13H2,1H3
InChIKeyVQQKCOABPVTRGL-UHFFFAOYSA-N
XLogP0.76
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.76
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

1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116943154
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide (CID 116849007) is 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide is CN(N)C(=O)C(N)c1coc2ccccc12.
What is the InChIKey of 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide?
The InChIKey is VQQKCOABPVTRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(13)11(15)10(12)8-6-16-9-5-3-2-4-7(8)9/h2-6,10H,12-13H2,1H3.
What are the key properties of 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide?
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide has a molecular weight of 219.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide is sourced from PubChem (CID 116849007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).