3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione

C9H13NO2 — CID 69235488

IUPAC3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CC(C)C)C1=O
InChIInChI=1S/C9H13NO2/c1-6(2)5-10-8(11)4-7(3)9(10)12/h6H,3-5H2,1-2H3
InChIKeyHUJWMPFUNJTEPN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds2

About 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione

3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 69235488) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID69235488
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CC(C)C)C1=O
InChIInChI=1S/C9H13NO2/c1-6(2)5-10-8(11)4-7(3)9(10)12/h6H,3-5H2,1-2H3
InChIKeyHUJWMPFUNJTEPN-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
1-(2-Methylacryloyl)pyrrolidin-2-one
CID 21867967
2,5-Pyrrolidinedione, 1-(2-methyl-2-propenyl)-
CID 1910855
3-Methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757782
N-allylitaconimide
CID 89137080
(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
CID 155351023
3-Methylidene-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 155351145
(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione
CID 155351155
3-Methylene-1-nonylpyrrolidine-2,5-dione
CID 512825
3-Methylene-1-octylpyrrolidine-2,5-dione
CID 512827
1-Methyl-3-methylidenepyrrolidine-2,5-dione
CID 13230836
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione (CID 69235488) is 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione is C=C1CC(=O)N(CC(C)C)C1=O.
What is the InChIKey of 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is HUJWMPFUNJTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)5-10-8(11)4-7(3)9(10)12/h6H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione?
3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 69235488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).