1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

C16H27NO2 — CID 170533041

IUPAC1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CN1C(=O)CCC1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12(9-16(5,6)11-15(2,3)4)10-17-13(18)7-8-14(17)19/h1,7-11H2,2-6H3
InChIKeyNUPBPENYOPRPLZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds5

About 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 170533041) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID170533041
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CN1C(=O)CCC1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12(9-16(5,6)11-15(2,3)4)10-17-13(18)7-8-14(17)19/h1,7-11H2,2-6H3
InChIKeyNUPBPENYOPRPLZ-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione
CID 139478689
1-[2-(sulfanylmethyl)prop-2-enyl]azepane-2,7-dione
CID 103073949
2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121
2,4,4,6,6,8,8-heptamethylnon-1-ene
CID 545785
1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
CID 106146212
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one
CID 146619279
1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
CID 89079228
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
1-[2-(2-naphthalen-2-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
CID 59307222
N-[(3Z)-6,6,8,8-tetramethylnona-1,3-dien-4-yl]methanimine
CID 144504919
3-[2-(aminomethyl)prop-2-enyl]-1,3-thiazinane-2,4-dione
CID 103072934

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 170533041) is 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CN1C(=O)CCC1=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is NUPBPENYOPRPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(9-16(5,6)11-15(2,3)4)10-17-13(18)7-8-14(17)19/h1,7-11H2,2-6H3.
What are the key properties of 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 265.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 170533041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).