(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

C13H18N2O2 — CID 81443348

IUPAC(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1ccncc1O
InChIInChI=1S/C13H18N2O2/c1-9(2)11-4-3-7-15(11)13(17)10-5-6-14-8-12(10)16/h5-6,8-9,11,16H,3-4,7H2,1-2H3
InChIKeyRLAVTHKQCQQCSY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.05
Rot. Bonds2

About (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 81443348) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID81443348
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1ccncc1O
InChIInChI=1S/C13H18N2O2/c1-9(2)11-4-3-7-15(11)13(17)10-5-6-14-8-12(10)16/h5-6,8-9,11,16H,3-4,7H2,1-2H3
InChIKeyRLAVTHKQCQQCSY-UHFFFAOYSA-N
XLogP2.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 81443348) is (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1ccncc1O.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is RLAVTHKQCQQCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)11-4-3-7-15(11)13(17)10-5-6-14-8-12(10)16/h5-6,8-9,11,16H,3-4,7H2,1-2H3.
What are the key properties of (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81443348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).