1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione

C10H15NO2 — CID 20695516

IUPAC1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione
SMILESCC(C)=C1C(=O)N(C)C(=O)C1(C)C
InChIInChI=1S/C10H15NO2/c1-6(2)7-8(12)11(5)9(13)10(7,3)4/h1-5H3
InChIKeyNMDPWDMIEXDIKQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds

About 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione

1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione (PubChem CID 20695516) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione
PubChem CID20695516
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione
SMILESCC(C)=C1C(=O)N(C)C(=O)C1(C)C
InChIInChI=1S/C10H15NO2/c1-6(2)7-8(12)11(5)9(13)10(7,3)4/h1-5H3
InChIKeyNMDPWDMIEXDIKQ-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.35
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-Acetyl-3-ethyl-4-methyl-1H-pyrrol-2(5H)-one
CID 71391391
3-Tert-butyl-1-methylpyrrole-2,5-dione
CID 14736438
1-Methyl-3-(methylethylidene)azolidine-2,5-dione
CID 1257758
(3E)-1-ethyl-3-ethylidenepyrrolidine-2,5-dione
CID 12122746
1-Methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione
CID 14736439
1-Ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione
CID 14943045
1-Methyl-3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione
CID 20031299
2-Oxo-3-propan-2-ylidenepyrrolidine-1-carbonyl chloride
CID 20566189
(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione
CID 20583994
1,3,3,4,5-Pentamethylpyridine-2,6-dione
CID 20695481
3,4-ditert-butyl-1-propyl-2H-pyrrol-5-one
CID 20773117
1-Butyl-3,4-ditert-butylpyrrole-2,5-dione
CID 20871982

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione?
The IUPAC name of 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione (CID 20695516) is 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione is CC(C)=C1C(=O)N(C)C(=O)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione?
The InChIKey is NMDPWDMIEXDIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)7-8(12)11(5)9(13)10(7,3)4/h1-5H3.
What are the key properties of 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione?
1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione has a molecular weight of 181.23 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-propan-2-ylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 20695516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).