1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one

C13H19N3O — CID 54973015

IUPAC1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C13H19N3O/c1-14-12-8-9-16(13(12)17)11-6-4-10(5-7-11)15(2)3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyCMWMBJWZLJHJFN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.08
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one

1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 54973015) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID54973015
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C13H19N3O/c1-14-12-8-9-16(13(12)17)11-6-4-10(5-7-11)15(2)3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyCMWMBJWZLJHJFN-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one (CID 54973015) is 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is CMWMBJWZLJHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-12-8-9-16(13(12)17)11-6-4-10(5-7-11)15(2)3/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one?
1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).