1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one

C22H41NO — CID 163652018

IUPAC1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one
SMILESCCC(C)(CC(C(C)C)N1CCCC1=O)C(C)C/C=C\CC(C)C
InChIInChI=1S/C22H41NO/c1-8-22(7,19(6)13-10-9-12-17(2)3)16-20(18(4)5)23-15-11-14-21(23)24/h9-10,17-20H,8,11-16H2,1-7H3/b10-9-
InChIKeyIMZQFTUOWHCIRL-KTKRTIGZSA-N
MW335.58 g/mol
LogP6.07
Rot. Bonds10

About 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one

1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one (PubChem CID 163652018) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one
PubChem CID163652018
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one
SMILESCCC(C)(CC(C(C)C)N1CCCC1=O)C(C)C/C=C\CC(C)C
InChIInChI=1S/C22H41NO/c1-8-22(7,19(6)13-10-9-12-17(2)3)16-20(18(4)5)23-15-11-14-21(23)24/h9-10,17-20H,8,11-16H2,1-7H3/b10-9-
InChIKeyIMZQFTUOWHCIRL-KTKRTIGZSA-N
XLogP6.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
CID 122646586
1-(3,6-diethyl-3,6-dimethyloctan-4-yl)azepan-2-one
CID 90701433
1-(4,7,7-trimethylundecan-5-yl)pyrrolidin-2-one
CID 166786750
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119658832
ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
CID 142030366
1-[1-[di(docosyl)amino]ethyl]pyrrolidin-2-one
CID 21273082

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one (CID 163652018) is 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one is CCC(C)(CC(C(C)C)N1CCCC1=O)C(C)C/C=C\CC(C)C.
What is the InChIKey of 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one?
The InChIKey is IMZQFTUOWHCIRL-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H41NO/c1-8-22(7,19(6)13-10-9-12-17(2)3)16-20(18(4)5)23-15-11-14-21(23)24/h9-10,17-20H,8,11-16H2,1-7H3/b10-9-.
What are the key properties of 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one?
1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one has a molecular weight of 335.58 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5-ethyl-2,5,6,11-tetramethyldodec-8-en-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 163652018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).