2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide

C14H17N3O2 — CID 55212248

IUPAC2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(CN2CCCC2)oc2ccccc12
InChIInChI=1S/C14H17N3O2/c15-16-14(18)13-10-5-1-2-6-11(10)19-12(13)9-17-7-3-4-8-17/h1-2,5-6H,3-4,7-9,15H2,(H,16,18)
InChIKeyPFGGIOYWVQHNDD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds3

About 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide

2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide (PubChem CID 55212248) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
PubChem CID55212248
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(CN2CCCC2)oc2ccccc12
InChIInChI=1S/C14H17N3O2/c15-16-14(18)13-10-5-1-2-6-11(10)19-12(13)9-17-7-3-4-8-17/h1-2,5-6H,3-4,7-9,15H2,(H,16,18)
InChIKeyPFGGIOYWVQHNDD-UHFFFAOYSA-N
XLogP1.63
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
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-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63585728
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63573029
2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63570845
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
2-[(2-cyanopyrrol-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 114655488
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273423
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 166366311

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide (CID 55212248) is 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide is NNC(=O)c1c(CN2CCCC2)oc2ccccc12.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
The InChIKey is PFGGIOYWVQHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-16-14(18)13-10-5-1-2-6-11(10)19-12(13)9-17-7-3-4-8-17/h1-2,5-6H,3-4,7-9,15H2,(H,16,18).
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide?
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide has a molecular weight of 259.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 55212248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).