3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol

C17H20N2O — CID 77084509

IUPAC3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cccnc2)C1
InChIInChI=1S/C17H20N2O/c1-14-5-2-3-7-16(14)17(20)8-10-19(13-17)12-15-6-4-9-18-11-15/h2-7,9,11,20H,8,10,12-13H2,1H3
InChIKeyWLHGHZCPMPCXDB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.48
Rot. Bonds3

About 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol

3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 77084509) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID77084509
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cccnc2)C1
InChIInChI=1S/C17H20N2O/c1-14-5-2-3-7-16(14)17(20)8-10-19(13-17)12-15-6-4-9-18-11-15/h2-7,9,11,20H,8,10,12-13H2,1H3
InChIKeyWLHGHZCPMPCXDB-UHFFFAOYSA-N
XLogP2.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol (CID 77084509) is 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol is Cc1ccccc1C1(O)CCN(Cc2cccnc2)C1.
What is the InChIKey of 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is WLHGHZCPMPCXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-5-2-3-7-16(14)17(20)8-10-19(13-17)12-15-6-4-9-18-11-15/h2-7,9,11,20H,8,10,12-13H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 268.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 77084509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).