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

C15H19N3O3 — CID 103540514

IUPAC3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESCOC1CCN(Cc2c(C(=O)NN)oc3ccccc23)C1
InChIInChI=1S/C15H19N3O3/c1-20-10-6-7-18(8-10)9-12-11-4-2-3-5-13(11)21-14(12)15(19)17-16/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyACZNWQGOTLOJGY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.26
Rot. Bonds4

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

3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 103540514) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
PubChem CID103540514
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESCOC1CCN(Cc2c(C(=O)NN)oc3ccccc23)C1
InChIInChI=1S/C15H19N3O3/c1-20-10-6-7-18(8-10)9-12-11-4-2-3-5-13(11)21-14(12)15(19)17-16/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyACZNWQGOTLOJGY-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 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide (CID 103540514) is 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide is COC1CCN(Cc2c(C(=O)NN)oc3ccccc23)C1.
What is the InChIKey of 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is ACZNWQGOTLOJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-10-6-7-18(8-10)9-12-11-4-2-3-5-13(11)21-14(12)15(19)17-16/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-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 3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 103540514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).