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

C16H25N3O — CID 110198075

IUPACcyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CC3)C2)n1C(C)C
InChIInChI=1S/C16H25N3O/c1-11(2)19-12(3)9-17-15(19)8-13-6-7-18(10-13)16(20)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyDMRAJHQMBVMNAL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.57
Rot. Bonds4

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

cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110198075) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110198075
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Namecyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CC3)C2)n1C(C)C
InChIInChI=1S/C16H25N3O/c1-11(2)19-12(3)9-17-15(19)8-13-6-7-18(10-13)16(20)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyDMRAJHQMBVMNAL-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 110198075) is cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnc(CC2CCN(C(=O)C3CC3)C2)n1C(C)C.
What is the InChIKey of cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DMRAJHQMBVMNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)19-12(3)9-17-15(19)8-13-6-7-18(10-13)16(20)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110198075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).