3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione

C11H17NO2 — CID 90796383

IUPAC3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=C(CC(C)(C)C)C1=O
InChIInChI=1S/C11H17NO2/c1-5-12-9(13)6-8(10(12)14)7-11(2,3)4/h6H,5,7H2,1-4H3
InChIKeyLQNCPKJLROLPDJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione

3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione (PubChem CID 90796383) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione
PubChem CID90796383
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=C(CC(C)(C)C)C1=O
InChIInChI=1S/C11H17NO2/c1-5-12-9(13)6-8(10(12)14)7-11(2,3)4/h6H,5,7H2,1-4H3
InChIKeyLQNCPKJLROLPDJ-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
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-Tert-butyl-1-methylpyrrole-2,5-dione
CID 14736438
(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide
CID 101466460
N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548462
N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548463
N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
CID 101055440
3,3-dimethyl-5-oxo-N,N-bis(prop-2-enyl)cyclopentene-1-carboxamide
CID 101994280
(E)-N,N,2-triethylhept-2-enamide
CID 102303653
4-Tert-butyl-1-methyl-2,3-dihydropyridin-6-one
CID 14146869
1,3-Dipropylpyrrole-2,5-dione
CID 17973878
1-butyl-4,5-ditert-butyl-3H-pyridine-2,6-dione
CID 20871977
1,3-Diethylpyrrole-2,5-dione
CID 22022549
1-Ethyl-3-pentylpyrrole-2,5-dione
CID 22388773

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione (CID 90796383) is 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione is CCN1C(=O)C=C(CC(C)(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione?
The InChIKey is LQNCPKJLROLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-12-9(13)6-8(10(12)14)7-11(2,3)4/h6H,5,7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione?
3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 90796383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).