2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole

C11H17N3 — CID 99728152

IUPAC2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole
SMILESCc1cnc(C2CC2)n1[C@@H]1CCNC1
InChIInChI=1S/C11H17N3/c1-8-6-13-11(9-2-3-9)14(8)10-4-5-12-7-10/h6,9-10,12H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyDBPBTXZECRVLNS-SNVBAGLBSA-N
MW191.28 g/mol
LogP1.60
Rot. Bonds2

About 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole

2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole (PubChem CID 99728152) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole
PubChem CID99728152
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole
SMILESCc1cnc(C2CC2)n1[C@@H]1CCNC1
InChIInChI=1S/C11H17N3/c1-8-6-13-11(9-2-3-9)14(8)10-4-5-12-7-10/h6,9-10,12H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyDBPBTXZECRVLNS-SNVBAGLBSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole?
The IUPAC name of 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole (CID 99728152) is 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole?
The canonical SMILES for 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole is Cc1cnc(C2CC2)n1[C@@H]1CCNC1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole?
The InChIKey is DBPBTXZECRVLNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-6-13-11(9-2-3-9)14(8)10-4-5-12-7-10/h6,9-10,12H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole?
2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole has a molecular weight of 191.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1-[(3R)-pyrrolidin-3-yl]imidazole is sourced from PubChem (CID 99728152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).