1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

C15H23N3O — CID 110198064

IUPAC1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2ncc(C)n2C2CC2)C1
InChIInChI=1S/C15H23N3O/c1-3-15(19)17-7-6-12(10-17)8-14-16-9-11(2)18(14)13-4-5-13/h9,12-13H,3-8,10H2,1-2H3
InChIKeyOAXGVIZYMJSCJB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds4

About 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110198064) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110198064
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2ncc(C)n2C2CC2)C1
InChIInChI=1S/C15H23N3O/c1-3-15(19)17-7-6-12(10-17)8-14-16-9-11(2)18(14)13-4-5-13/h9,12-13H,3-8,10H2,1-2H3
InChIKeyOAXGVIZYMJSCJB-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 110198064) is 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2ncc(C)n2C2CC2)C1.
What is the InChIKey of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is OAXGVIZYMJSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-15(19)17-7-6-12(10-17)8-14-16-9-11(2)18(14)13-4-5-13/h9,12-13H,3-8,10H2,1-2H3.
What are the key properties of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110198064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).