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

C15H19N3O3 — CID 103540522

IUPAC2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESCOC1CCN(Cc2oc3ccccc3c2C(=O)NN)C1
InChIInChI=1S/C15H19N3O3/c1-20-10-6-7-18(8-10)9-13-14(15(19)17-16)11-4-2-3-5-12(11)21-13/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyCQSWWMNKKLOLJN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.26
Rot. Bonds4

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

2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 103540522) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
PubChem CID103540522
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
SMILESCOC1CCN(Cc2oc3ccccc3c2C(=O)NN)C1
InChIInChI=1S/C15H19N3O3/c1-20-10-6-7-18(8-10)9-13-14(15(19)17-16)11-4-2-3-5-12(11)21-13/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyCQSWWMNKKLOLJN-UHFFFAOYSA-N
XLogP1.26
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide (CID 103540522) is 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is COC1CCN(Cc2oc3ccccc3c2C(=O)NN)C1.
What is the InChIKey of 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is CQSWWMNKKLOLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-10-6-7-18(8-10)9-13-14(15(19)17-16)11-4-2-3-5-12(11)21-13/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide?
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 289.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 103540522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).