[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C16H16N2O2 — CID 47466511

IUPAC[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c19-14-7-5-12(6-8-14)15-4-2-10-18(15)16(20)13-3-1-9-17-11-13/h1,3,5-9,11,15,19H,2,4,10H2
InChIKeyGSQKNDCGZQOUDL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds2

About [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 47466511) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID47466511
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c19-14-7-5-12(6-8-14)15-4-2-10-18(15)16(20)13-3-1-9-17-11-13/h1,3,5-9,11,15,19H,2,4,10H2
InChIKeyGSQKNDCGZQOUDL-UHFFFAOYSA-N
XLogP2.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 47466511) is [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC1c1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is GSQKNDCGZQOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14-7-5-12(6-8-14)15-4-2-10-18(15)16(20)13-3-1-9-17-11-13/h1,3,5-9,11,15,19H,2,4,10H2.
What are the key properties of [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 268.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 47466511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).