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

C15H25N3O — CID 97285920

IUPAC(4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)C[C@H]1CC(=O)N(Cc2nccn2C(C)C)C1
InChIInChI=1S/C15H25N3O/c1-11(2)7-13-8-15(19)17(9-13)10-14-16-5-6-18(14)12(3)4/h5-6,11-13H,7-10H2,1-4H3/t13-/m0/s1
InChIKeyHEHFDLJPQXVFGQ-ZDUSSCGKSA-N
MW263.38 g/mol
LogP2.86
Rot. Bonds5

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

(4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 97285920) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID97285920
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)C[C@H]1CC(=O)N(Cc2nccn2C(C)C)C1
InChIInChI=1S/C15H25N3O/c1-11(2)7-13-8-15(19)17(9-13)10-14-16-5-6-18(14)12(3)4/h5-6,11-13H,7-10H2,1-4H3/t13-/m0/s1
InChIKeyHEHFDLJPQXVFGQ-ZDUSSCGKSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one (CID 97285920) is (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one is CC(C)C[C@H]1CC(=O)N(Cc2nccn2C(C)C)C1.
What is the InChIKey of (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is HEHFDLJPQXVFGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)7-13-8-15(19)17(9-13)10-14-16-5-6-18(14)12(3)4/h5-6,11-13H,7-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one?
(4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 97285920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).