(3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol

C8H13N3O — CID 130614281

IUPAC(3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C8H13N3O/c12-8-1-2-11(5-8)4-7-3-9-6-10-7/h3,6,8,12H,1-2,4-5H2,(H,9,10)/t8-/m1/s1
InChIKeyRBAFQLOQCSPEQC-MRVPVSSYSA-N
MW167.21 g/mol
LogP-0.02
Rot. Bonds2

About (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol

(3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 130614281) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID130614281
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C8H13N3O/c12-8-1-2-11(5-8)4-7-3-9-6-10-7/h3,6,8,12H,1-2,4-5H2,(H,9,10)/t8-/m1/s1
InChIKeyRBAFQLOQCSPEQC-MRVPVSSYSA-N
XLogP-0.02
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol (CID 130614281) is (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CCN(Cc2cnc[nH]2)C1.
What is the InChIKey of (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is RBAFQLOQCSPEQC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-1-2-11(5-8)4-7-3-9-6-10-7/h3,6,8,12H,1-2,4-5H2,(H,9,10)/t8-/m1/s1.
What are the key properties of (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol?
(3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130614281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).