1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole

C12H21N3O — CID 86820588

IUPAC1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole
SMILESCOCCCn1c(C)cnc1C1CCNC1
InChIInChI=1S/C12H21N3O/c1-10-8-14-12(11-4-5-13-9-11)15(10)6-3-7-16-2/h8,11,13H,3-7,9H2,1-2H3
InChIKeyUSXXXOCIBNXVBX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds5

About 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole

1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole (PubChem CID 86820588) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole
PubChem CID86820588
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole
SMILESCOCCCn1c(C)cnc1C1CCNC1
InChIInChI=1S/C12H21N3O/c1-10-8-14-12(11-4-5-13-9-11)15(10)6-3-7-16-2/h8,11,13H,3-7,9H2,1-2H3
InChIKeyUSXXXOCIBNXVBX-UHFFFAOYSA-N
XLogP1.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole (CID 86820588) is 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole is COCCCn1c(C)cnc1C1CCNC1.
What is the InChIKey of 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole?
The InChIKey is USXXXOCIBNXVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-8-14-12(11-4-5-13-9-11)15(10)6-3-7-16-2/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole?
1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole has a molecular weight of 223.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-methyl-2-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 86820588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).