1-(1-benzofuran-3-ylmethyl)pyrrolidine

C13H15NO — CID 67148297

IUPAC1-(1-benzofuran-3-ylmethyl)pyrrolidine
SMILESc1ccc2c(CN3CCCC3)coc2c1
InChIInChI=1S/C13H15NO/c1-2-6-13-12(5-1)11(10-15-13)9-14-7-3-4-8-14/h1-2,5-6,10H,3-4,7-9H2
InChIKeyYHTHYKWHRKXSQD-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.03
Rot. Bonds2

About 1-(1-benzofuran-3-ylmethyl)pyrrolidine

1-(1-benzofuran-3-ylmethyl)pyrrolidine (PubChem CID 67148297) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)pyrrolidine
PubChem CID67148297
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1-benzofuran-3-ylmethyl)pyrrolidine
SMILESc1ccc2c(CN3CCCC3)coc2c1
InChIInChI=1S/C13H15NO/c1-2-6-13-12(5-1)11(10-15-13)9-14-7-3-4-8-14/h1-2,5-6,10H,3-4,7-9H2
InChIKeyYHTHYKWHRKXSQD-UHFFFAOYSA-N
XLogP3.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzofuran-3-ylmethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
1-[(7-fluoro-1-benzofuran-3-yl)methyl]azepane
CID 117180993
1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307025
1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid
CID 80702544
2-(1-benzofuran-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522440
1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11186738
1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione
CID 71249269
3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174366
1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67710346
N-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]propane-1-sulfonamide
CID 84593108
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)pyrrolidine?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)pyrrolidine (CID 67148297) is 1-(1-benzofuran-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)pyrrolidine is c1ccc2c(CN3CCCC3)coc2c1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)pyrrolidine?
The InChIKey is YHTHYKWHRKXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-6-13-12(5-1)11(10-15-13)9-14-7-3-4-8-14/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)pyrrolidine?
1-(1-benzofuran-3-ylmethyl)pyrrolidine has a molecular weight of 201.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 67148297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).