5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole

C8H13N3 — CID 143109546

IUPAC5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
SMILESCC1CNC[C@@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyKTEPQLOOQDLKHF-MLWJPKLSSA-N
MW151.21 g/mol
LogP0.73
Rot. Bonds1

About 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole

5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole (PubChem CID 143109546) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
PubChem CID143109546
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
SMILESCC1CNC[C@@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyKTEPQLOOQDLKHF-MLWJPKLSSA-N
XLogP0.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole?
The IUPAC name of 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole (CID 143109546) is 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole.
What is the SMILES notation for 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole?
The canonical SMILES for 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole is CC1CNC[C@@H]1c1cnc[nH]1.
What is the InChIKey of 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole?
The InChIKey is KTEPQLOOQDLKHF-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole?
5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole has a molecular weight of 151.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole is sourced from PubChem (CID 143109546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).