5-(1-benzofuran-3-yl)-N-methylpentanehydrazide

C14H18N2O2 — CID 116845280

IUPAC5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
SMILESCN(N)C(=O)CCCCc1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16(15)14(17)9-5-2-6-11-10-18-13-8-4-3-7-12(11)13/h3-4,7-8,10H,2,5-6,9,15H2,1H3
InChIKeyBRIUAZRUYGVAAU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds5

About 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide

5-(1-benzofuran-3-yl)-N-methylpentanehydrazide (PubChem CID 116845280) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
PubChem CID116845280
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
SMILESCN(N)C(=O)CCCCc1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16(15)14(17)9-5-2-6-11-10-18-13-8-4-3-7-12(11)13/h3-4,7-8,10H,2,5-6,9,15H2,1H3
InChIKeyBRIUAZRUYGVAAU-UHFFFAOYSA-N
XLogP2.48
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
4-(1-benzofuran-3-yl)butane-1-sulfonic acid
CID 18415274
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
10-(1-benzofuran-3-yl)decane-1-sulfonic acid
CID 18415200

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide?
The IUPAC name of 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide (CID 116845280) is 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide?
The canonical SMILES for 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide is CN(N)C(=O)CCCCc1coc2ccccc12.
What is the InChIKey of 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide?
The InChIKey is BRIUAZRUYGVAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(15)14(17)9-5-2-6-11-10-18-13-8-4-3-7-12(11)13/h3-4,7-8,10H,2,5-6,9,15H2,1H3.
What are the key properties of 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide?
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide has a molecular weight of 246.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-N-methylpentanehydrazide is sourced from PubChem (CID 116845280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).