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

C8H13N3O — CID 23064432

IUPAC1-(1-methylimidazol-4-yl)pyrrolidin-3-ol
SMILESCn1cnc(N2CCC(O)C2)c1
InChIInChI=1S/C8H13N3O/c1-10-5-8(9-6-10)11-3-2-7(12)4-11/h5-7,12H,2-4H2,1H3
InChIKeyGQYWGJVZMSNKIU-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.01
Rot. Bonds1

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

1-(1-methylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 23064432) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID23064432
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(1-methylimidazol-4-yl)pyrrolidin-3-ol
SMILESCn1cnc(N2CCC(O)C2)c1
InChIInChI=1S/C8H13N3O/c1-10-5-8(9-6-10)11-3-2-7(12)4-11/h5-7,12H,2-4H2,1H3
InChIKeyGQYWGJVZMSNKIU-UHFFFAOYSA-N
XLogP-0.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol (CID 23064432) is 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol is Cn1cnc(N2CCC(O)C2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is GQYWGJVZMSNKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-5-8(9-6-10)11-3-2-7(12)4-11/h5-7,12H,2-4H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
1-(1-methylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 23064432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).