1-oct-7-enylpyrrole-2,5-dione

C12H17NO2 — CID 175459396

IUPAC1-oct-7-enylpyrrole-2,5-dione
SMILESC=CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h2,8-9H,1,3-7,10H2
InChIKeyIWYXYONLFXWACO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.05
Rot. Bonds7

About 1-oct-7-enylpyrrole-2,5-dione

1-oct-7-enylpyrrole-2,5-dione (PubChem CID 175459396) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-oct-7-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-oct-7-enylpyrrole-2,5-dione
PubChem CID175459396
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-oct-7-enylpyrrole-2,5-dione
SMILESC=CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h2,8-9H,1,3-7,10H2
InChIKeyIWYXYONLFXWACO-UHFFFAOYSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
CID 106402479
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
CID 153323053
1,3,5-tris(dec-9-enyl)-1,3,5-triazinane-2,4,6-trione
CID 135325486
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654

Frequently Asked Questions

What is the IUPAC name of 1-oct-7-enylpyrrole-2,5-dione?
The IUPAC name of 1-oct-7-enylpyrrole-2,5-dione (CID 175459396) is 1-oct-7-enylpyrrole-2,5-dione.
What is the SMILES notation for 1-oct-7-enylpyrrole-2,5-dione?
The canonical SMILES for 1-oct-7-enylpyrrole-2,5-dione is C=CCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-oct-7-enylpyrrole-2,5-dione?
The InChIKey is IWYXYONLFXWACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h2,8-9H,1,3-7,10H2.
What are the key properties of 1-oct-7-enylpyrrole-2,5-dione?
1-oct-7-enylpyrrole-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-7-enylpyrrole-2,5-dione is sourced from PubChem (CID 175459396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).