1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one

C15H21NO2 — CID 104512318

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C15H21NO2/c1-11(2)14-7-15(18)16(9-14)8-12-3-5-13(10-17)6-4-12/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyHVJHLHXKCIBKRC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.18
Rot. Bonds4

About 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one

1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104512318) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104512318
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C15H21NO2/c1-11(2)14-7-15(18)16(9-14)8-12-3-5-13(10-17)6-4-12/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyHVJHLHXKCIBKRC-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512610
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512532
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512786
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511464

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one (CID 104512318) is 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is HVJHLHXKCIBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)14-7-15(18)16(9-14)8-12-3-5-13(10-17)6-4-12/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104512318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).