cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone

C17H25N3O — CID 110198062

IUPACcyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CCC3)C2)n1C1CC1
InChIInChI=1S/C17H25N3O/c1-12-10-18-16(20(12)15-5-6-15)9-13-7-8-19(11-13)17(21)14-3-2-4-14/h10,13-15H,2-9,11H2,1H3
InChIKeyDCDVTNINWUKZFN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.72
Rot. Bonds4

About cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone

cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110198062) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110198062
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CCC3)C2)n1C1CC1
InChIInChI=1S/C17H25N3O/c1-12-10-18-16(20(12)15-5-6-15)9-13-7-8-19(11-13)17(21)14-3-2-4-14/h10,13-15H,2-9,11H2,1H3
InChIKeyDCDVTNINWUKZFN-UHFFFAOYSA-N
XLogP2.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 110198062) is cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnc(CC2CCN(C(=O)C3CCC3)C2)n1C1CC1.
What is the InChIKey of cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DCDVTNINWUKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-10-18-16(20(12)15-5-6-15)9-13-7-8-19(11-13)17(21)14-3-2-4-14/h10,13-15H,2-9,11H2,1H3.
What are the key properties of cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110198062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).