1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one

C13H17NO — CID 62315382

IUPAC1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
SMILESCc1cccc(CCN2CCC(=O)C2)c1
InChIInChI=1S/C13H17NO/c1-11-3-2-4-12(9-11)5-7-14-8-6-13(15)10-14/h2-4,9H,5-8,10H2,1H3
InChIKeyCCUDQODYXSBTEF-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one

1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one (PubChem CID 62315382) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
PubChem CID62315382
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
SMILESCc1cccc(CCN2CCC(=O)C2)c1
InChIInChI=1S/C13H17NO/c1-11-3-2-4-12(9-11)5-7-14-8-6-13(15)10-14/h2-4,9H,5-8,10H2,1H3
InChIKeyCCUDQODYXSBTEF-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one
CID 105456569
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 174727884
1-[2-(3-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 142244772
1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one
CID 141101121
7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
CID 172620639
3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125537
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
1-[2-(3-methylphenyl)ethyl]piperidin-2-imine
CID 62314831
2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde
CID 62312680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one (CID 62315382) is 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one is Cc1cccc(CCN2CCC(=O)C2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one?
The InChIKey is CCUDQODYXSBTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-3-2-4-12(9-11)5-7-14-8-6-13(15)10-14/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one?
1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one has a molecular weight of 203.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one is sourced from PubChem (CID 62315382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).