1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol

C15H18N2O — CID 130546152

IUPAC1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
SMILESOC1(c2ccc[nH]2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18N2O/c18-15(14-7-4-9-16-14)8-10-17(12-15)11-13-5-2-1-3-6-13/h1-7,9,16,18H,8,10-12H2
InChIKeyRMRGUISXLNZGNG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.11
Rot. Bonds3

About 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol

1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol (PubChem CID 130546152) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
PubChem CID130546152
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
SMILESOC1(c2ccc[nH]2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18N2O/c18-15(14-7-4-9-16-14)8-10-17(12-15)11-13-5-2-1-3-6-13/h1-7,9,16,18H,8,10-12H2
InChIKeyRMRGUISXLNZGNG-UHFFFAOYSA-N
XLogP2.11
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-3-(4-bromo-2,5-difluorophenyl)pyrrolidin-3-ol
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[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol
CID 130546169
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol (CID 130546152) is 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol is OC1(c2ccc[nH]2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol?
The InChIKey is RMRGUISXLNZGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(14-7-4-9-16-14)8-10-17(12-15)11-13-5-2-1-3-6-13/h1-7,9,16,18H,8,10-12H2.
What are the key properties of 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol?
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol has a molecular weight of 242.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130546152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).