4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C14H20N2O3 — CID 55076455

IUPAC4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC2CCCO)cc1=O
InChIInChI=1S/C14H20N2O3/c1-15-8-6-11(10-13(15)18)14(19)16-7-2-4-12(16)5-3-9-17/h6,8,10,12,17H,2-5,7,9H2,1H3
InChIKeyUKDKKJCJUUINGM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.76
Rot. Bonds4

About 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 55076455) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID55076455
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC2CCCO)cc1=O
InChIInChI=1S/C14H20N2O3/c1-15-8-6-11(10-13(15)18)14(19)16-7-2-4-12(16)5-3-9-17/h6,8,10,12,17H,2-5,7,9H2,1H3
InChIKeyUKDKKJCJUUINGM-UHFFFAOYSA-N
XLogP0.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 43421075
5-Amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 55075922
4-(3-Hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
CID 55243953
4-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 61408645
5-Amino-1-[3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propyl]pyridin-2-one
CID 62467517
1-[3-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 62468619
5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 62468957
3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 62469140
6-hydroxy-4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 62469322
4-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 66054111
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 66260918
1-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-2-methylpent-2-en-1-one
CID 76943908

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 55076455) is 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCC2CCCO)cc1=O.
What is the InChIKey of 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is UKDKKJCJUUINGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-8-6-11(10-13(15)18)14(19)16-7-2-4-12(16)5-3-9-17/h6,8,10,12,17H,2-5,7,9H2,1H3.
What are the key properties of 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 55076455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).