5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one

C15H28N2O2 — CID 146480237

IUPAC5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C1COCCN1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-11(2)17-12(6-7-14(17)18)13-10-19-9-8-16(13)15(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyIMPRTIUFIQXCRC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds2

About 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one

5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 146480237) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID146480237
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C1COCCN1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-11(2)17-12(6-7-14(17)18)13-10-19-9-8-16(13)15(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyIMPRTIUFIQXCRC-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 178109240
7-tert-butyl-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
CID 80519553
2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide
CID 102560617
2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide
CID 99714458
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
1,6-di(propan-2-yl)piperidin-2-one;ethane
CID 167704362
(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone
CID 118688735
1-(2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl)-2-chloropropan-1-one
CID 121204477
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
2,3-dimethyl-2-(3-methylmorpholin-4-yl)butan-1-amine
CID 61353365
(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
CID 58465109

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one (CID 146480237) is 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CCC1C1COCCN1C(C)(C)C.
What is the InChIKey of 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is IMPRTIUFIQXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)17-12(6-7-14(17)18)13-10-19-9-8-16(13)15(3,4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one?
5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylmorpholin-3-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 146480237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).