1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol

C9H15N3O — CID 23064512

IUPAC1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cn1C
InChIInChI=1S/C9H15N3O/c1-7-10-9(6-11(7)2)12-4-3-8(13)5-12/h6,8,13H,3-5H2,1-2H3
InChIKeySHOVESRCSSEJAO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.30
Rot. Bonds1

About 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol

1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 23064512) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID23064512
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cn1C
InChIInChI=1S/C9H15N3O/c1-7-10-9(6-11(7)2)12-4-3-8(13)5-12/h6,8,13H,3-5H2,1-2H3
InChIKeySHOVESRCSSEJAO-UHFFFAOYSA-N
XLogP0.30
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol (CID 23064512) is 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is SHOVESRCSSEJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-10-9(6-11(7)2)12-4-3-8(13)5-12/h6,8,13H,3-5H2,1-2H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol?
1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 181.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 23064512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).