1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol

C14H17NO2 — CID 79559824

IUPAC1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c16-12(9-11-5-3-7-15-11)14-8-10-4-1-2-6-13(10)17-14/h1-2,4,6,8,11-12,15-16H,3,5,7,9H2
InChIKeySUHBSZGGSXMQBD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol

1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol (PubChem CID 79559824) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
PubChem CID79559824
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c16-12(9-11-5-3-7-15-11)14-8-10-4-1-2-6-13(10)17-14/h1-2,4,6,8,11-12,15-16H,3,5,7,9H2
InChIKeySUHBSZGGSXMQBD-UHFFFAOYSA-N
XLogP2.61
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685567
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104955292
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104972010
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol (CID 79559824) is 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol is OC(CC1CCCN1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol?
The InChIKey is SUHBSZGGSXMQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12(9-11-5-3-7-15-11)14-8-10-4-1-2-6-13(10)17-14/h1-2,4,6,8,11-12,15-16H,3,5,7,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol?
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol has a molecular weight of 231.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 79559824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).