4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol

C9H15N3O2 — CID 126997210

IUPAC4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
SMILESCn1ccnc1N1CC(O)C(CO)C1
InChIInChI=1S/C9H15N3O2/c1-11-3-2-10-9(11)12-4-7(6-13)8(14)5-12/h2-3,7-8,13-14H,4-6H2,1H3
InChIKeyOELHSWWWUYRSDH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.79
Rot. Bonds2

About 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol

4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol (PubChem CID 126997210) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
PubChem CID126997210
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
SMILESCn1ccnc1N1CC(O)C(CO)C1
InChIInChI=1S/C9H15N3O2/c1-11-3-2-10-9(11)12-4-7(6-13)8(14)5-12/h2-3,7-8,13-14H,4-6H2,1H3
InChIKeyOELHSWWWUYRSDH-UHFFFAOYSA-N
XLogP-0.79
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol (CID 126997210) is 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol is Cn1ccnc1N1CC(O)C(CO)C1.
What is the InChIKey of 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
The InChIKey is OELHSWWWUYRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11-3-2-10-9(11)12-4-7(6-13)8(14)5-12/h2-3,7-8,13-14H,4-6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol has a molecular weight of 197.24 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 126997210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).