1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one

C18H27NO2 — CID 6918219

IUPAC1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
SMILESCC(C)(C)c1cc(N2CCCC2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H27NO2/c1-17(2,3)13-10-12(19-9-7-8-15(19)20)11-14(16(13)21)18(4,5)6/h10-11,21H,7-9H2,1-6H3
InChIKeyOWJSEESROFTAQV-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.11
Rot. Bonds1

About 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one

1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one (PubChem CID 6918219) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
PubChem CID6918219
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
SMILESCC(C)(C)c1cc(N2CCCC2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H27NO2/c1-17(2,3)13-10-12(19-9-7-8-15(19)20)11-14(16(13)21)18(4,5)6/h10-11,21H,7-9H2,1-6H3
InChIKeyOWJSEESROFTAQV-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-[3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenol
CID 141047471
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517290
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
1-[3,5-bis[4-(4-tert-butyl-3-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 172516998
3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253004
2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CID 16642641
2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoic acid
CID 5210283
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one (CID 6918219) is 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one is CC(C)(C)c1cc(N2CCCC2=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one?
The InChIKey is OWJSEESROFTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2,3)13-10-12(19-9-7-8-15(19)20)11-14(16(13)21)18(4,5)6/h10-11,21H,7-9H2,1-6H3.
What are the key properties of 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one?
1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 6918219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).