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

C12H16N2O2 — CID 112627475

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(O)C1CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C12H16N2O2/c1-9(15)11-4-7-14(8-11)12(16)10-2-5-13-6-3-10/h2-3,5-6,9,11,15H,4,7-8H2,1H3
InChIKeyBEVVMEASQKFEPZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.92
Rot. Bonds2

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

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 112627475) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID112627475
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(O)C1CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C12H16N2O2/c1-9(15)11-4-7-14(8-11)12(16)10-2-5-13-6-3-10/h2-3,5-6,9,11,15H,4,7-8H2,1H3
InChIKeyBEVVMEASQKFEPZ-UHFFFAOYSA-N
XLogP0.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023340
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 115966226
[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 113364846
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023199
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
(2-cyclohexyloxy-4-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023950
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 112627475) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is CC(O)C1CCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BEVVMEASQKFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)11-4-7-14(8-11)12(16)10-2-5-13-6-3-10/h2-3,5-6,9,11,15H,4,7-8H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 112627475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).