2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione

C15H23NO2 — CID 101055449

IUPAC2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
SMILESC=CCCCCN1CC2C(C(=O)CC2(C)C)C1=O
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-8-16-10-11-13(14(16)18)12(17)9-15(11,2)3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyKKUMXGWTQMZJJT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds5

About 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione

2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione (PubChem CID 101055449) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione.

Molecular Properties

Compound Name2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
PubChem CID101055449
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione
SMILESC=CCCCCN1CC2C(C(=O)CC2(C)C)C1=O
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-8-16-10-11-13(14(16)18)12(17)9-15(11,2)3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyKKUMXGWTQMZJJT-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The IUPAC name of 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione (CID 101055449) is 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione.
What is the SMILES notation for 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The canonical SMILES for 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione is C=CCCCCN1CC2C(C(=O)CC2(C)C)C1=O.
What is the InChIKey of 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
The InChIKey is KKUMXGWTQMZJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-7-8-16-10-11-13(14(16)18)12(17)9-15(11,2)3/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione?
2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione has a molecular weight of 249.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-6,6-dimethyl-1,3a,5,6a-tetrahydrocyclopenta[c]pyrrole-3,4-dione is sourced from PubChem (CID 101055449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).