1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione

C14H23NO2 — CID 90735455

IUPAC1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione
SMILESCCN1C(=O)C=C(CC(C)(C)CC(C)C)C1=O
InChIInChI=1S/C14H23NO2/c1-6-15-12(16)7-11(13(15)17)9-14(4,5)8-10(2)3/h7,10H,6,8-9H2,1-5H3
InChIKeyJIZMGHUVJRYKQD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds5

About 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione

1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione (PubChem CID 90735455) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione
PubChem CID90735455
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione
SMILESCCN1C(=O)C=C(CC(C)(C)CC(C)C)C1=O
InChIInChI=1S/C14H23NO2/c1-6-15-12(16)7-11(13(15)17)9-14(4,5)8-10(2)3/h7,10H,6,8-9H2,1-5H3
InChIKeyJIZMGHUVJRYKQD-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
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

N,N-diethylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030414
6-ethyl-N,N-diisopropyl-cyclohexene-1-carboxamide
CID 12947851
N,N-dimethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10352593
N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10398600
4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
CID 10444770
3-Cyclohexyl-1-methylpyrrole-2,5-dione
CID 13230795
N-(2-chloroacetyl)-3,3,5-trimethyl-N-propan-2-ylcyclohexene-1-carboxamide
CID 21616561
1-Ethyl-3-pentylpyrrole-2,5-dione
CID 22388773
1-Methyl-3-(3-methylbutyl)pyrrole-2,5-dione
CID 22388774
N,N,9-trimethylcyclononene-1-carboxamide
CID 53660540
N,N-diethyl-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
CID 53753199
1-Ethyl-3-hexylpyrrole-2,5-dione
CID 66664281

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione (CID 90735455) is 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione is CCN1C(=O)C=C(CC(C)(C)CC(C)C)C1=O.
What is the InChIKey of 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione?
The InChIKey is JIZMGHUVJRYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-15-12(16)7-11(13(15)17)9-14(4,5)8-10(2)3/h7,10H,6,8-9H2,1-5H3.
What are the key properties of 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione?
1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,4-trimethylpentyl)pyrrole-2,5-dione is sourced from PubChem (CID 90735455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).