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

C10H13NO3 — CID 101445557

IUPAC3-methoxy-1-pent-4-enylpyrrole-2,5-dione
SMILESC=CCCCN1C(=O)C=C(OC)C1=O
InChIInChI=1S/C10H13NO3/c1-3-4-5-6-11-9(12)7-8(14-2)10(11)13/h3,7H,1,4-6H2,2H3
InChIKeyUVZKJJCQDORNRQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.85
Rot. Bonds5

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

3-methoxy-1-pent-4-enylpyrrole-2,5-dione (PubChem CID 101445557) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methoxy-1-pent-4-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methoxy-1-pent-4-enylpyrrole-2,5-dione
PubChem CID101445557
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-methoxy-1-pent-4-enylpyrrole-2,5-dione
SMILESC=CCCCN1C(=O)C=C(OC)C1=O
InChIInChI=1S/C10H13NO3/c1-3-4-5-6-11-9(12)7-8(14-2)10(11)13/h3,7H,1,4-6H2,2H3
InChIKeyUVZKJJCQDORNRQ-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-1-pent-4-enylpyrrole-2,5-dione?
The IUPAC name of 3-methoxy-1-pent-4-enylpyrrole-2,5-dione (CID 101445557) is 3-methoxy-1-pent-4-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-methoxy-1-pent-4-enylpyrrole-2,5-dione?
The canonical SMILES for 3-methoxy-1-pent-4-enylpyrrole-2,5-dione is C=CCCCN1C(=O)C=C(OC)C1=O.
What is the InChIKey of 3-methoxy-1-pent-4-enylpyrrole-2,5-dione?
The InChIKey is UVZKJJCQDORNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-4-5-6-11-9(12)7-8(14-2)10(11)13/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-methoxy-1-pent-4-enylpyrrole-2,5-dione?
3-methoxy-1-pent-4-enylpyrrole-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-pent-4-enylpyrrole-2,5-dione is sourced from PubChem (CID 101445557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).