3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione

C11H15NO2 — CID 15866153

IUPAC3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione
SMILESC=CCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H15NO2/c1-4-5-6-7-12-10(13)8(2)9(3)11(12)14/h4H,1,5-7H2,2-3H3
InChIKeyHWTAWMSJQZZFBG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds4

About 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione

3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione (PubChem CID 15866153) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione
PubChem CID15866153
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione
SMILESC=CCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H15NO2/c1-4-5-6-7-12-10(13)8(2)9(3)11(12)14/h4H,1,5-7H2,2-3H3
InChIKeyHWTAWMSJQZZFBG-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione (CID 15866153) is 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione is C=CCCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione?
The InChIKey is HWTAWMSJQZZFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-6-7-12-10(13)8(2)9(3)11(12)14/h4H,1,5-7H2,2-3H3.
What are the key properties of 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione?
3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-pent-4-enylpyrrole-2,5-dione is sourced from PubChem (CID 15866153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).