5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one

C17H25NO2 — CID 104687812

IUPAC5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCCOc1ccc(CC2(C(C)C)CCC(=O)N2)cc1
InChIInChI=1S/C17H25NO2/c1-4-11-20-15-7-5-14(6-8-15)12-17(13(2)3)10-9-16(19)18-17/h5-8,13H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyANKJWJNHGRQXJG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.32
Rot. Bonds6

About 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one

5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 104687812) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID104687812
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCCOc1ccc(CC2(C(C)C)CCC(=O)N2)cc1
InChIInChI=1S/C17H25NO2/c1-4-11-20-15-7-5-14(6-8-15)12-17(13(2)3)10-9-16(19)18-17/h5-8,13H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyANKJWJNHGRQXJG-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(methoxymethyl)phenyl]methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687889
5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687288
5-ethyl-5-[(4-pentoxyphenyl)methyl]pyrrolidin-2-one
CID 104687527
5-[(3,4-dimethylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687805
5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687921
5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687413
5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687906
3,3-dimethyl-1-(4-propoxyphenyl)piperazine-2,5-dione
CID 64968760
4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 18338957
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one (CID 104687812) is 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one is CCCOc1ccc(CC2(C(C)C)CCC(=O)N2)cc1.
What is the InChIKey of 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ANKJWJNHGRQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-11-20-15-7-5-14(6-8-15)12-17(13(2)3)10-9-16(19)18-17/h5-8,13H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one?
5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).