(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate

C15H16N2O3 — CID 141292238

IUPAC(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC(C(=O)n1cccc1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-16(2)15(19)20-13(12-8-4-3-5-9-12)14(18)17-10-6-7-11-17/h3-11,13H,1-2H3
InChIKeyFCEFKZPUMPWBCF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.57
Rot. Bonds3

About (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate

(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate (PubChem CID 141292238) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate
PubChem CID141292238
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC(C(=O)n1cccc1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-16(2)15(19)20-13(12-8-4-3-5-9-12)14(18)17-10-6-7-11-17/h3-11,13H,1-2H3
InChIKeyFCEFKZPUMPWBCF-UHFFFAOYSA-N
XLogP2.57
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxy-1-phenylbut-3-en-2-yl) N,N-dimethylcarbamate
CID 102469609
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 97191713
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
CID 9415418
N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide
CID 11436890

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate?
The IUPAC name of (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate (CID 141292238) is (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate?
The canonical SMILES for (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate is CN(C)C(=O)OC(C(=O)n1cccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate?
The InChIKey is FCEFKZPUMPWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16(2)15(19)20-13(12-8-4-3-5-9-12)14(18)17-10-6-7-11-17/h3-11,13H,1-2H3.
What are the key properties of (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate?
(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate has a molecular weight of 272.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate is sourced from PubChem (CID 141292238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).