1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione

C11H13NO3 — CID 137491853

IUPAC1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC/C=C\C1=C(/C=C\C)C(=O)N(OC)C1=O
InChIInChI=1S/C11H13NO3/c1-4-6-8-9(7-5-2)11(14)12(15-3)10(8)13/h4-7H,1-3H3/b6-4-,7-5-
InChIKeyYCIZAUWOLCSSLU-PEPZGXQESA-N
MW207.23 g/mol
LogP1.37
Rot. Bonds3

About 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione

1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione (PubChem CID 137491853) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
PubChem CID137491853
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC/C=C\C1=C(/C=C\C)C(=O)N(OC)C1=O
InChIInChI=1S/C11H13NO3/c1-4-6-8-9(7-5-2)11(14)12(15-3)10(8)13/h4-7H,1-3H3/b6-4-,7-5-
InChIKeyYCIZAUWOLCSSLU-PEPZGXQESA-N
XLogP1.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 22966629
4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 143991257
1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one
CID 91192973
1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 144963441
5,6-dihydroxy-2-methoxyisoindole-1,3-dione
CID 118461175
4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione
CID 145410963
3-methyl-2-prop-1-enylcyclohex-2-en-1-one
CID 123373208
2-prop-1-enoxyisoindole-1,3-dione
CID 158403520
1-methoxy-3-methylpyrrole-2,5-dione
CID 142001588
3,4-bis[(Z)-prop-1-enyl]-7,8,9,9a-tetrahydro-2H-pyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 143039857
2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
CID 130412008
(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile
CID 121222565

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione (CID 137491853) is 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione is C/C=C\C1=C(/C=C\C)C(=O)N(OC)C1=O.
What is the InChIKey of 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The InChIKey is YCIZAUWOLCSSLU-PEPZGXQESA-N. The full InChI is InChI=1S/C11H13NO3/c1-4-6-8-9(7-5-2)11(14)12(15-3)10(8)13/h4-7H,1-3H3/b6-4-,7-5-.
What are the key properties of 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 137491853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).