2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide

C15H19N3O2 — CID 63573029

IUPAC2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESCC1CCN(Cc2oc3ccccc3c2C(=O)NN)C1
InChIInChI=1S/C15H19N3O2/c1-10-6-7-18(8-10)9-13-14(15(19)17-16)11-4-2-3-5-12(11)20-13/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyNXPCYWISLFHOSR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.88
Rot. Bonds3

About 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide

2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63573029) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63573029
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESCC1CCN(Cc2oc3ccccc3c2C(=O)NN)C1
InChIInChI=1S/C15H19N3O2/c1-10-6-7-18(8-10)9-13-14(15(19)17-16)11-4-2-3-5-12(11)20-13/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyNXPCYWISLFHOSR-UHFFFAOYSA-N
XLogP1.88
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.88
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-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63585728
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63570845
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273423
2-[(3-methoxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 102959581
ethyl 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49230182
2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63938947
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (CID 63573029) is 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is CC1CCN(Cc2oc3ccccc3c2C(=O)NN)C1.
What is the InChIKey of 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is NXPCYWISLFHOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-7-18(8-10)9-13-14(15(19)17-16)11-4-2-3-5-12(11)20-13/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 273.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63573029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).