N',N'-dimethyl-1-benzofuran-3-carbohydrazide

C11H12N2O2 — CID 116848024

IUPACN',N'-dimethyl-1-benzofuran-3-carbohydrazide
SMILESCN(C)NC(=O)c1coc2ccccc12
InChIInChI=1S/C11H12N2O2/c1-13(2)12-11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)
InChIKeyWOTWAAIYCWYFEZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.64
Rot. Bonds2

About N',N'-dimethyl-1-benzofuran-3-carbohydrazide

N',N'-dimethyl-1-benzofuran-3-carbohydrazide (PubChem CID 116848024) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N',N'-dimethyl-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-1-benzofuran-3-carbohydrazide
PubChem CID116848024
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN',N'-dimethyl-1-benzofuran-3-carbohydrazide
SMILESCN(C)NC(=O)c1coc2ccccc12
InChIInChI=1S/C11H12N2O2/c1-13(2)12-11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)
InChIKeyWOTWAAIYCWYFEZ-UHFFFAOYSA-N
XLogP1.64
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-[3-(chloromethyl)pentan-3-yl]-1-benzofuran-3-carboxamide
CID 113273354
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-benzofuran-3-carbohydrazide?
The IUPAC name of N',N'-dimethyl-1-benzofuran-3-carbohydrazide (CID 116848024) is N',N'-dimethyl-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-1-benzofuran-3-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-1-benzofuran-3-carbohydrazide is CN(C)NC(=O)c1coc2ccccc12.
What is the InChIKey of N',N'-dimethyl-1-benzofuran-3-carbohydrazide?
The InChIKey is WOTWAAIYCWYFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13(2)12-11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14).
What are the key properties of N',N'-dimethyl-1-benzofuran-3-carbohydrazide?
N',N'-dimethyl-1-benzofuran-3-carbohydrazide has a molecular weight of 204.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 116848024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).