(2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C16H16N2O3 — CID 44590006

IUPAC(2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16N2O3/c19-11-6-7-12(15(20)10-11)16(21)18-9-3-5-14(18)13-4-1-2-8-17-13/h1-2,4,6-8,10,14,19-20H,3,5,9H2
InChIKeyWRGWLSFABSKUGN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.47
Rot. Bonds2

About (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

(2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 44590006) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID44590006
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16N2O3/c19-11-6-7-12(15(20)10-11)16(21)18-9-3-5-14(18)13-4-1-2-8-17-13/h1-2,4,6-8,10,14,19-20H,3,5,9H2
InChIKeyWRGWLSFABSKUGN-UHFFFAOYSA-N
XLogP2.47
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 44590006) is (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(O)cc1O)N1CCCC1c1ccccn1.
What is the InChIKey of (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is WRGWLSFABSKUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-11-6-7-12(15(20)10-11)16(21)18-9-3-5-14(18)13-4-1-2-8-17-13/h1-2,4,6-8,10,14,19-20H,3,5,9H2.
What are the key properties of (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
(2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 44590006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).