3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide

C15H17N3O3 — CID 63581675

IUPAC3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESCC1CC(=O)N(Cc2c(C(=O)NN)oc3ccccc23)C1
InChIInChI=1S/C15H17N3O3/c1-9-6-13(19)18(7-9)8-11-10-4-2-3-5-12(10)21-14(11)15(20)17-16/h2-5,9H,6-8,16H2,1H3,(H,17,20)
InChIKeyHMABBRZNXXFVCY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.40
Rot. Bonds3

About 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide

3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63581675) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63581675
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESCC1CC(=O)N(Cc2c(C(=O)NN)oc3ccccc23)C1
InChIInChI=1S/C15H17N3O3/c1-9-6-13(19)18(7-9)8-11-10-4-2-3-5-12(10)21-14(11)15(20)17-16/h2-5,9H,6-8,16H2,1H3,(H,17,20)
InChIKeyHMABBRZNXXFVCY-UHFFFAOYSA-N
XLogP1.40
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.40
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

3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578144
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 103540514
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 63581482
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
3-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943269
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
3-[(3-methyl-2-oxopiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 104679851
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 82735781
3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
CID 116793809
3-(butan-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63580272

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide (CID 63581675) is 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide is CC1CC(=O)N(Cc2c(C(=O)NN)oc3ccccc23)C1.
What is the InChIKey of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is HMABBRZNXXFVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-6-13(19)18(7-9)8-11-10-4-2-3-5-12(10)21-14(11)15(20)17-16/h2-5,9H,6-8,16H2,1H3,(H,17,20).
What are the key properties of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63581675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).