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

C11H19N5O — CID 114154959

IUPAC4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCN(C)c1ncc(CNC2CNC(=O)C2)n1C
InChIInChI=1S/C11H19N5O/c1-15(2)11-14-7-9(16(11)3)6-12-8-4-10(17)13-5-8/h7-8,12H,4-6H2,1-3H3,(H,13,17)
InChIKeyNMJHOSRCNICMOW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.54
Rot. Bonds4

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

4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one (PubChem CID 114154959) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
PubChem CID114154959
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCN(C)c1ncc(CNC2CNC(=O)C2)n1C
InChIInChI=1S/C11H19N5O/c1-15(2)11-14-7-9(16(11)3)6-12-8-4-10(17)13-5-8/h7-8,12H,4-6H2,1-3H3,(H,13,17)
InChIKeyNMJHOSRCNICMOW-UHFFFAOYSA-N
XLogP-0.54
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one (CID 114154959) is 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one is CN(C)c1ncc(CNC2CNC(=O)C2)n1C.
What is the InChIKey of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
The InChIKey is NMJHOSRCNICMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15(2)11-14-7-9(16(11)3)6-12-8-4-10(17)13-5-8/h7-8,12H,4-6H2,1-3H3,(H,13,17).
What are the key properties of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one?
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one has a molecular weight of 237.31 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 114154959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).