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

C16H23N3O — CID 110198061

IUPACcyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CC3)C2)n1C1CC1
InChIInChI=1S/C16H23N3O/c1-11-9-17-15(19(11)14-4-5-14)8-12-6-7-18(10-12)16(20)13-2-3-13/h9,12-14H,2-8,10H2,1H3
InChIKeyVHQKVIJYBBOMME-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.33
Rot. Bonds4

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

cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110198061) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110198061
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CC3)C2)n1C1CC1
InChIInChI=1S/C16H23N3O/c1-11-9-17-15(19(11)14-4-5-14)8-12-6-7-18(10-12)16(20)13-2-3-13/h9,12-14H,2-8,10H2,1H3
InChIKeyVHQKVIJYBBOMME-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 110198061) is cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnc(CC2CCN(C(=O)C3CC3)C2)n1C1CC1.
What is the InChIKey of cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is VHQKVIJYBBOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-9-17-15(19(11)14-4-5-14)8-12-6-7-18(10-12)16(20)13-2-3-13/h9,12-14H,2-8,10H2,1H3.
What are the key properties of cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 273.38 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 cyclopropyl-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110198061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).