1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione

C16H23NO2 — CID 155132321

IUPAC1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCCC1C=CC(C(C)CN2C(=O)C(C)=C(C)C2=O)C1
InChIInChI=1S/C16H23NO2/c1-5-13-6-7-14(8-13)10(2)9-17-15(18)11(3)12(4)16(17)19/h6-7,10,13-14H,5,8-9H2,1-4H3
InChIKeyXZZUVGOXPLGUTK-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione

1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 155132321) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID155132321
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCCC1C=CC(C(C)CN2C(=O)C(C)=C(C)C2=O)C1
InChIInChI=1S/C16H23NO2/c1-5-13-6-7-14(8-13)10(2)9-17-15(18)11(3)12(4)16(17)19/h6-7,10,13-14H,5,8-9H2,1-4H3
InChIKeyXZZUVGOXPLGUTK-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione (CID 155132321) is 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione is CCC1C=CC(C(C)CN2C(=O)C(C)=C(C)C2=O)C1.
What is the InChIKey of 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is XZZUVGOXPLGUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-13-6-7-14(8-13)10(2)9-17-15(18)11(3)12(4)16(17)19/h6-7,10,13-14H,5,8-9H2,1-4H3.
What are the key properties of 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 261.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclopent-2-en-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 155132321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).