3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one

C14H19NO2 — CID 82129055

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCNC2=O)cc1C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)12-8-10(4-5-13(12)17-3)11-6-7-15-14(11)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyUJIANRAIOXGAMV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one

3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 82129055) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID82129055
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCNC2=O)cc1C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)12-8-10(4-5-13(12)17-3)11-6-7-15-14(11)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyUJIANRAIOXGAMV-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129058
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
3-(4-methoxy-3-propan-2-ylphenyl)morpholine
CID 82083415
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
3-(4-ethylphenyl)pyrrolidin-2-one
CID 82125500
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
CID 82302394
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one (CID 82129055) is 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one is COc1ccc(C2CCNC2=O)cc1C(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is UJIANRAIOXGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)12-8-10(4-5-13(12)17-3)11-6-7-15-14(11)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one?
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82129055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).