(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol

C12H21N3O — CID 72870514

IUPAC(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(Cc2ncc[nH]2)C[C@H]1C
InChIInChI=1S/C12H21N3O/c1-9(2)12(16)8-15(6-10(12)3)7-11-13-4-5-14-11/h4-5,9-10,16H,6-8H2,1-3H3,(H,13,14)/t10-,12-/m1/s1
InChIKeyZJVGGFFCIATZFE-ZYHUDNBSSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds3

About (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol

(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 72870514) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
PubChem CID72870514
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(Cc2ncc[nH]2)C[C@H]1C
InChIInChI=1S/C12H21N3O/c1-9(2)12(16)8-15(6-10(12)3)7-11-13-4-5-14-11/h4-5,9-10,16H,6-8H2,1-3H3,(H,13,14)/t10-,12-/m1/s1
InChIKeyZJVGGFFCIATZFE-ZYHUDNBSSA-N
XLogP1.25
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol (CID 72870514) is (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol is CC(C)[C@]1(O)CN(Cc2ncc[nH]2)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is ZJVGGFFCIATZFE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12(16)8-15(6-10(12)3)7-11-13-4-5-14-11/h4-5,9-10,16H,6-8H2,1-3H3,(H,13,14)/t10-,12-/m1/s1.
What are the key properties of (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 72870514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).