4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one

C13H16N2O — CID 62705444

IUPAC4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one
SMILESCCC1(C)NC(=O)C(c2ccccc2)=C1N
InChIInChI=1S/C13H16N2O/c1-3-13(2)11(14)10(12(16)15-13)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3,(H,15,16)
InChIKeyDOTOYYMTFCHFLV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.65
Rot. Bonds2

About 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one

4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one (PubChem CID 62705444) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one
PubChem CID62705444
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one
SMILESCCC1(C)NC(=O)C(c2ccccc2)=C1N
InChIInChI=1S/C13H16N2O/c1-3-13(2)11(14)10(12(16)15-13)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3,(H,15,16)
InChIKeyDOTOYYMTFCHFLV-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one?
The IUPAC name of 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one (CID 62705444) is 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one?
The canonical SMILES for 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one is CCC1(C)NC(=O)C(c2ccccc2)=C1N.
What is the InChIKey of 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one?
The InChIKey is DOTOYYMTFCHFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-13(2)11(14)10(12(16)15-13)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one?
4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-5-methyl-3-phenyl-1H-pyrrol-2-one is sourced from PubChem (CID 62705444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).