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

C10H17NO2 — CID 66823698

IUPAC3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)C(C)C(C)(C)C1=O
InChIInChI=1S/C10H17NO2/c1-6(2)11-8(12)7(3)10(4,5)9(11)13/h6-7H,1-5H3
InChIKeyXZVUDZVNNSPRBW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.43
Rot. Bonds1

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

3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 66823698) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID66823698
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)C(C)C(C)(C)C1=O
InChIInChI=1S/C10H17NO2/c1-6(2)11-8(12)7(3)10(4,5)9(11)13/h6-7H,1-5H3
InChIKeyXZVUDZVNNSPRBW-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 22957000
2-(3,3,4-trimethyl-2,5-dioxopyrrolidin-1-yl)prop-2-enenitrile
CID 142142012
4-propan-2-yl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 170238249
9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 10519876
5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione
CID 87233918
3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64874694
5-tert-butyl-3-propan-2-ylimidazolidine-2,4-dione
CID 118604293
3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 157356680
5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 66811245
1,3,4,4-tetramethylazetidin-2-one
CID 122674816
(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
CID 59868897
(1R,2R,6S,7S)-4-propan-2-ylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 949855

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione (CID 66823698) is 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)C(C)C(C)(C)C1=O.
What is the InChIKey of 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XZVUDZVNNSPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)11-8(12)7(3)10(4,5)9(11)13/h6-7H,1-5H3.
What are the key properties of 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione?
3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 183.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 66823698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).