(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one

C14H23N5O — CID 164635297

IUPAC(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCN(C)c1ncc(CN[C@H]2CC(=O)N(C3CC3)C2)n1C
InChIInChI=1S/C14H23N5O/c1-17(2)14-16-8-12(18(14)3)7-15-10-6-13(20)19(9-10)11-4-5-11/h8,10-11,15H,4-7,9H2,1-3H3/t10-/m0/s1
InChIKeyJKQYRUJHMNTSSF-JTQLQIEISA-N
MW277.37 g/mol
LogP0.34
Rot. Bonds5

About (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one (PubChem CID 164635297) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
PubChem CID164635297
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCN(C)c1ncc(CN[C@H]2CC(=O)N(C3CC3)C2)n1C
InChIInChI=1S/C14H23N5O/c1-17(2)14-16-8-12(18(14)3)7-15-10-6-13(20)19(9-10)11-4-5-11/h8,10-11,15H,4-7,9H2,1-3H3/t10-/m0/s1
InChIKeyJKQYRUJHMNTSSF-JTQLQIEISA-N
XLogP0.34
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one (CID 164635297) is (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one is CN(C)c1ncc(CN[C@H]2CC(=O)N(C3CC3)C2)n1C.
What is the InChIKey of (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
The InChIKey is JKQYRUJHMNTSSF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N5O/c1-17(2)14-16-8-12(18(14)3)7-15-10-6-13(20)19(9-10)11-4-5-11/h8,10-11,15H,4-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 164635297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).