ethane;1-(4-methylphenyl)pyrrolidin-2-one

C13H19NO — CID 143607645

IUPACethane;1-(4-methylphenyl)pyrrolidin-2-one
SMILESCC.Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H13NO.C2H6/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13;1-2/h4-7H,2-3,8H2,1H3;1-2H3
InChIKeyIMCJFKAWPOCHHB-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.15
Rot. Bonds1

About ethane;1-(4-methylphenyl)pyrrolidin-2-one

ethane;1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 143607645) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID143607645
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;1-(4-methylphenyl)pyrrolidin-2-one
SMILESCC.Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H13NO.C2H6/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13;1-2/h4-7H,2-3,8H2,1H3;1-2H3
InChIKeyIMCJFKAWPOCHHB-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 69051347
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
2-N-(4-methylphenyl)-3-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 11509899
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of ethane;1-(4-methylphenyl)pyrrolidin-2-one (CID 143607645) is ethane;1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for ethane;1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for ethane;1-(4-methylphenyl)pyrrolidin-2-one is CC.Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is IMCJFKAWPOCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13;1-2/h4-7H,2-3,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)pyrrolidin-2-one?
ethane;1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 205.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 143607645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).