[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol

C13H17NO2 — CID 121199351

IUPAC[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CNCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c15-8-11-6-14-7-12(11)9-1-2-13-10(5-9)3-4-16-13/h1-2,5,11-12,14-15H,3-4,6-8H2
InChIKeyJPAPRZQKYMTZMQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.92
Rot. Bonds2

About [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol

[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 121199351) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
PubChem CID121199351
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CNCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c15-8-11-6-14-7-12(11)9-1-2-13-10(5-9)3-4-16-13/h1-2,5,11-12,14-15H,3-4,6-8H2
InChIKeyJPAPRZQKYMTZMQ-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol 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

3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
CID 121199381
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 129009069
(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-(fluoromethyl)pyrrolidine
CID 129494013
(2S,3R)-2-benzyl-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 142120770

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol (CID 121199351) is [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol is OCC1CNCC1c1ccc2c(c1)CCO2.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is JPAPRZQKYMTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-8-11-6-14-7-12(11)9-1-2-13-10(5-9)3-4-16-13/h1-2,5,11-12,14-15H,3-4,6-8H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol?
[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 219.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 121199351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).