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

C12H15N3O2 — CID 116849154

IUPAC2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)C(N)Cc1coc2ccccc12
InChIInChI=1S/C12H15N3O2/c1-15(14)12(16)10(13)6-8-7-17-11-5-3-2-4-9(8)11/h2-5,7,10H,6,13-14H2,1H3
InChIKeyWTQYFRWEFBVXMU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.63
Rot. Bonds3

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

2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide (PubChem CID 116849154) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
PubChem CID116849154
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)C(N)Cc1coc2ccccc12
InChIInChI=1S/C12H15N3O2/c1-15(14)12(16)10(13)6-8-7-17-11-5-3-2-4-9(8)11/h2-5,7,10H,6,13-14H2,1H3
InChIKeyWTQYFRWEFBVXMU-UHFFFAOYSA-N
XLogP0.63
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.63
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

2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
(2S)-3-(1-benzofuran-3-yl)-2-(methylamino)propanoic acid
CID 172529455
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
3-(2-isocyanatopropyl)-1-benzofuran
CID 165358639
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide?
The IUPAC name of 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide (CID 116849154) is 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide?
The canonical SMILES for 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide is CN(N)C(=O)C(N)Cc1coc2ccccc12.
What is the InChIKey of 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide?
The InChIKey is WTQYFRWEFBVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(14)12(16)10(13)6-8-7-17-11-5-3-2-4-9(8)11/h2-5,7,10H,6,13-14H2,1H3.
What are the key properties of 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide?
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide has a molecular weight of 233.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide is sourced from PubChem (CID 116849154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).