1-methyl-2-pyrrolidin-3-ylimidazole

C8H13N3 — CID 69121108

IUPAC1-methyl-2-pyrrolidin-3-ylimidazole
SMILESCn1ccnc1C1CCNC1
InChIInChI=1S/C8H13N3/c1-11-5-4-10-8(11)7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3
InChIKeyWGKTZHNTSOLEDU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-2-pyrrolidin-3-ylimidazole

1-methyl-2-pyrrolidin-3-ylimidazole (PubChem CID 69121108) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-3-ylimidazole
PubChem CID69121108
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-2-pyrrolidin-3-ylimidazole
SMILESCn1ccnc1C1CCNC1
InChIInChI=1S/C8H13N3/c1-11-5-4-10-8(11)7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3
InChIKeyWGKTZHNTSOLEDU-UHFFFAOYSA-N
XLogP0.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-methyl-2-pyrrolidin-3-ylimidazole (CID 69121108) is 1-methyl-2-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-methyl-2-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-methyl-2-pyrrolidin-3-ylimidazole is Cn1ccnc1C1CCNC1.
What is the InChIKey of 1-methyl-2-pyrrolidin-3-ylimidazole?
The InChIKey is WGKTZHNTSOLEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-5-4-10-8(11)7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 1-methyl-2-pyrrolidin-3-ylimidazole?
1-methyl-2-pyrrolidin-3-ylimidazole has a molecular weight of 151.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 69121108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).