1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane

C16H29NO2 — CID 144721101

IUPAC1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane
SMILESC=C(CN1C(=O)CCC1=O)C(C)(C)CCCC.CC
InChIInChI=1S/C14H23NO2.C2H6/c1-5-6-9-14(3,4)11(2)10-15-12(16)7-8-13(15)17;1-2/h2,5-10H2,1,3-4H3;1-2H3
InChIKeyHUASIPHQTMHGGU-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.93
Rot. Bonds6

About 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane

1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane (PubChem CID 144721101) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane
PubChem CID144721101
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane
SMILESC=C(CN1C(=O)CCC1=O)C(C)(C)CCCC.CC
InChIInChI=1S/C14H23NO2.C2H6/c1-5-6-9-14(3,4)11(2)10-15-12(16)7-8-13(15)17;1-2/h2,5-10H2,1,3-4H3;1-2H3
InChIKeyHUASIPHQTMHGGU-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.93
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-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione
CID 5355515
1-(5,5-Dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 18710923
1-(2-Ethylhexyl)-3-methylidenepyrrolidine-2,5-dione
CID 22245524
1-Dodecyl-3-methylidenepyrrolidine-2,5-dione
CID 22245525
1-[3-(Dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
CID 58041336
1-Methyl-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
CID 59263699
1-(3-Methylideneoctyl)pyrrolidine-2,5-dione
CID 70210174
1-(2,5,5-Trimethylhex-1-en-3-yl)pyrrolidin-2-one
CID 89386274
1-[[4-(4,4-Dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 90275489
1-Methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
CID 90362511
1-(3,3-Dimethyl-2-methylideneoctyl)-5-methylidenepyrrolidin-2-one
CID 138566775
1-(3,3-Dimethyl-2-methylideneheptyl)-5-methylidenepyrrolidin-2-one
CID 139438344

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane?
The IUPAC name of 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane (CID 144721101) is 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane?
The canonical SMILES for 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane is C=C(CN1C(=O)CCC1=O)C(C)(C)CCCC.CC.
What is the InChIKey of 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane?
The InChIKey is HUASIPHQTMHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.C2H6/c1-5-6-9-14(3,4)11(2)10-15-12(16)7-8-13(15)17;1-2/h2,5-10H2,1,3-4H3;1-2H3.
What are the key properties of 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane?
1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane has a molecular weight of 267.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-methylideneheptyl)pyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 144721101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).