ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one

C13H17NO2 — CID 90934034

IUPACethane;3-methoxy-1-phenyl-2H-pyrrol-5-one
SMILESCC.COC1=CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C11H11NO2.C2H6/c1-14-10-7-11(13)12(8-10)9-5-3-2-4-6-9;1-2/h2-7H,8H2,1H3;1-2H3
InChIKeyAWJOKPHTKOYGHH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.59
Rot. Bonds2

About ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one

ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one (PubChem CID 90934034) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Nameethane;3-methoxy-1-phenyl-2H-pyrrol-5-one
PubChem CID90934034
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethane;3-methoxy-1-phenyl-2H-pyrrol-5-one
SMILESCC.COC1=CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C11H11NO2.C2H6/c1-14-10-7-11(13)12(8-10)9-5-3-2-4-6-9;1-2/h2-7H,8H2,1H3;1-2H3
InChIKeyAWJOKPHTKOYGHH-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one (CID 90934034) is ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one is CC.COC1=CC(=O)N(c2ccccc2)C1.
What is the InChIKey of ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one?
The InChIKey is AWJOKPHTKOYGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-14-10-7-11(13)12(8-10)9-5-3-2-4-6-9;1-2/h2-7H,8H2,1H3;1-2H3.
What are the key properties of ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one?
ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one has a molecular weight of 219.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 90934034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).