4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one

C15H23N3O — CID 72891418

IUPAC4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)n1ccnc1CN1CC(C)(C2CC2)CC1=O
InChIInChI=1S/C15H23N3O/c1-11(2)18-7-6-16-13(18)9-17-10-15(3,8-14(17)19)12-4-5-12/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyDGWBBWIBWRWGCO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds4

About 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one

4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 72891418) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID72891418
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)n1ccnc1CN1CC(C)(C2CC2)CC1=O
InChIInChI=1S/C15H23N3O/c1-11(2)18-7-6-16-13(18)9-17-10-15(3,8-14(17)19)12-4-5-12/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyDGWBBWIBWRWGCO-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one (CID 72891418) is 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one is CC(C)n1ccnc1CN1CC(C)(C2CC2)CC1=O.
What is the InChIKey of 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is DGWBBWIBWRWGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)18-7-6-16-13(18)9-17-10-15(3,8-14(17)19)12-4-5-12/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-methyl-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 72891418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).