1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol

C10H17N3O2 — CID 23064455

IUPAC1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cn1CCO
InChIInChI=1S/C10H17N3O2/c1-8-11-10(7-12(8)4-5-14)13-3-2-9(15)6-13/h7,9,14-15H,2-6H2,1H3
InChIKeyCTFYXTGHWKKKOZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.25
Rot. Bonds3

About 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol

1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol (PubChem CID 23064455) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
PubChem CID23064455
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cn1CCO
InChIInChI=1S/C10H17N3O2/c1-8-11-10(7-12(8)4-5-14)13-3-2-9(15)6-13/h7,9,14-15H,2-6H2,1H3
InChIKeyCTFYXTGHWKKKOZ-UHFFFAOYSA-N
XLogP-0.25
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol (CID 23064455) is 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)cn1CCO.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
The InChIKey is CTFYXTGHWKKKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-11-10(7-12(8)4-5-14)13-3-2-9(15)6-13/h7,9,14-15H,2-6H2,1H3.
What are the key properties of 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol?
1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol has a molecular weight of 211.26 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 23064455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).