[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone

C10H15N3O2 — CID 115760429

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCC(CCO)C1)n1ccnc1
InChIInChI=1S/C10H15N3O2/c14-6-2-9-1-4-12(7-9)10(15)13-5-3-11-8-13/h3,5,8-9,14H,1-2,4,6-7H2
InChIKeyZTQQMOFJMZZMHS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.56
Rot. Bonds2

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 115760429) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone
PubChem CID115760429
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCC(CCO)C1)n1ccnc1
InChIInChI=1S/C10H15N3O2/c14-6-2-9-1-4-12(7-9)10(15)13-5-3-11-8-13/h3,5,8-9,14H,1-2,4,6-7H2
InChIKeyZTQQMOFJMZZMHS-UHFFFAOYSA-N
XLogP0.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone
CID 81258043
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
CID 141127866
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 113268931
[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone
CID 171461010
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
CID 135338878
N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113225834
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methylbut-2-en-1-one
CID 115746427
[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate
CID 153315357

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone (CID 115760429) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone is O=C(N1CCC(CCO)C1)n1ccnc1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is ZTQQMOFJMZZMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-6-2-9-1-4-12(7-9)10(15)13-5-3-11-8-13/h3,5,8-9,14H,1-2,4,6-7H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 209.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 115760429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).