3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one

C12H16N2O — CID 70547159

IUPAC3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one
SMILESCC1C(N)C(=O)N(c2ccccc2)C1C
InChIInChI=1S/C12H16N2O/c1-8-9(2)14(12(15)11(8)13)10-6-4-3-5-7-10/h3-9,11H,13H2,1-2H3
InChIKeyFKIVQJIHXVDLFR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.39
Rot. Bonds1

About 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one

3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one (PubChem CID 70547159) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one
PubChem CID70547159
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one
SMILESCC1C(N)C(=O)N(c2ccccc2)C1C
InChIInChI=1S/C12H16N2O/c1-8-9(2)14(12(15)11(8)13)10-6-4-3-5-7-10/h3-9,11H,13H2,1-2H3
InChIKeyFKIVQJIHXVDLFR-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one (CID 70547159) is 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one is CC1C(N)C(=O)N(c2ccccc2)C1C.
What is the InChIKey of 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one?
The InChIKey is FKIVQJIHXVDLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-9(2)14(12(15)11(8)13)10-6-4-3-5-7-10/h3-9,11H,13H2,1-2H3.
What are the key properties of 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one?
3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 70547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).