5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one

C20H29NO2 — CID 142625324

IUPAC5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H29NO2/c1-19(2,3)15-11-13(10-14-8-9-17(22)21(14)7)12-16(18(15)23)20(4,5)6/h10-12,23H,8-9H2,1-7H3
InChIKeyHTIAXKWGIHJEOV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.58
Rot. Bonds1

About 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one

5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one (PubChem CID 142625324) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
PubChem CID142625324
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H29NO2/c1-19(2,3)15-11-13(10-14-8-9-17(22)21(14)7)12-16(18(15)23)20(4,5)6/h10-12,23H,8-9H2,1-7H3
InChIKeyHTIAXKWGIHJEOV-UHFFFAOYSA-N
XLogP4.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
CID 6439259
2,6-ditert-butyl-4-[(E)-(2-methyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol
CID 10689295
(3Z)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-ethylpyrrolidin-2-one
CID 88520129
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-oxopyrrolidine-1-carboxamide
CID 54460719
(6E)-4-chloro-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclohexa-2,4-dien-1-one
CID 164678977
1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
CID 6918219
(5Z)-3-cyclopropyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18936371
2-[5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetonitrile
CID 54120060
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-N-hydroxy-2-oxo-N-propan-2-ylpyrrolidine-1-carboxamide
CID 54323019
(6Z)-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methoxycyclohexa-2,4-dien-1-one
CID 155676186
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylfuran-3-one
CID 75599197
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 75587600

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one (CID 142625324) is 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The InChIKey is HTIAXKWGIHJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-19(2,3)15-11-13(10-14-8-9-17(22)21(14)7)12-16(18(15)23)20(4,5)6/h10-12,23H,8-9H2,1-7H3.
What are the key properties of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one has a molecular weight of 315.46 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 142625324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).