1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione

C9H13NO2 — CID 70400128

IUPAC1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione
SMILESC=CC(C)CN1C(=O)CCC1=O
InChIInChI=1S/C9H13NO2/c1-3-7(2)6-10-8(11)4-5-9(10)12/h3,7H,1,4-6H2,2H3
InChIKeyLNCOIZZMHDHEER-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds3

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

1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione (PubChem CID 70400128) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione
PubChem CID70400128
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione
SMILESC=CC(C)CN1C(=O)CCC1=O
InChIInChI=1S/C9H13NO2/c1-3-7(2)6-10-8(11)4-5-9(10)12/h3,7H,1,4-6H2,2H3
InChIKeyLNCOIZZMHDHEER-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione (CID 70400128) is 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione is C=CC(C)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione?
The InChIKey is LNCOIZZMHDHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-7(2)6-10-8(11)4-5-9(10)12/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione?
1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70400128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).