1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione

C16H26N2O2 — CID 106188046

IUPAC1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
SMILESCC(C)=CCNC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C16H26N2O2/c1-12(2)9-10-17-14-11-15(19)18(16(14)20)13-7-5-3-4-6-8-13/h9,13-14,17H,3-8,10-11H2,1-2H3
InChIKeyMJNYVJSOZRODQO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds4

About 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione

1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione (PubChem CID 106188046) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
PubChem CID106188046
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
SMILESCC(C)=CCNC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C16H26N2O2/c1-12(2)9-10-17-14-11-15(19)18(16(14)20)13-7-5-3-4-6-8-13/h9,13-14,17H,3-8,10-11H2,1-2H3
InChIKeyMJNYVJSOZRODQO-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
CID 43637319
1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188044
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
1-cyclohexyl-3-[2-[ethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione
CID 62635609
1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
CID 115567309
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
3-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2,2-dimethylpropanamide
CID 106275843
1-cyclopentyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrrolidine-2,5-dione
CID 114941620
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638689

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione (CID 106188046) is 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione is CC(C)=CCNC1CC(=O)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
The InChIKey is MJNYVJSOZRODQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-10-17-14-11-15(19)18(16(14)20)13-7-5-3-4-6-8-13/h9,13-14,17H,3-8,10-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 106188046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).