4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one

C10H15N3O2 — CID 168663120

IUPAC4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1cnc[nH]1
InChIInChI=1S/C10H15N3O2/c14-6-8-3-10(15)13(5-8)2-1-9-4-11-7-12-9/h4,7-8,14H,1-3,5-6H2,(H,11,12)
InChIKeyUCJHBEBHZCOBEG-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.21
Rot. Bonds4

About 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 168663120) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID168663120
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1cnc[nH]1
InChIInChI=1S/C10H15N3O2/c14-6-8-3-10(15)13(5-8)2-1-9-4-11-7-12-9/h4,7-8,14H,1-3,5-6H2,(H,11,12)
InChIKeyUCJHBEBHZCOBEG-UHFFFAOYSA-N
XLogP-0.21
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 168663095
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
4-(hydroxymethyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
CID 168662744
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
CID 168663108
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
(4aS,9aR)-7-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-N-prop-2-enyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742644
N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide
CID 129303268
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
1-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 136581475
(4aR,8aS)-6-(3-cyclopropylpropanoyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133123870

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one (CID 168663120) is 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one is O=C1CC(CO)CN1CCc1cnc[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is UCJHBEBHZCOBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-6-8-3-10(15)13(5-8)2-1-9-4-11-7-12-9/h4,7-8,14H,1-3,5-6H2,(H,11,12).
What are the key properties of 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168663120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).