1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione

C9H11NO2 — CID 126635369

IUPAC1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione
SMILESC/C=C(\CC)N1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO2/c1-3-7(4-2)10-8(11)5-6-9(10)12/h3,5-6H,4H2,1-2H3/b7-3+
InChIKeyBUJXREZHLZPTLD-XVNBXDOJSA-N
MW165.19 g/mol
LogP1.23
Rot. Bonds2

About 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione

1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione (PubChem CID 126635369) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione
PubChem CID126635369
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione
SMILESC/C=C(\CC)N1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO2/c1-3-7(4-2)10-8(11)5-6-9(10)12/h3,5-6H,4H2,1-2H3/b7-3+
InChIKeyBUJXREZHLZPTLD-XVNBXDOJSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-2-[(E)-pent-2-en-3-yl]pyrazol-3-one
CID 15012725
N-butyl-2,5-dioxopyrrole-1-carboxamide
CID 102248992
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione
CID 143649128
3-hydroxy-1-pent-2-en-3-ylpyrrolidin-2-one
CID 91300095
2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
CID 100993985
N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide
CID 23411
3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878
1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde
CID 160814240
1-[(3S)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 139814524
1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686
1-(2-aminooxyacetyl)pyrrole-2,5-dione
CID 67981369
prop-2-enyl 2-(2,5-dioxopyrrol-1-yl)-2-oxoacetate
CID 139567764

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione (CID 126635369) is 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione is C/C=C(\CC)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione?
The InChIKey is BUJXREZHLZPTLD-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-7(4-2)10-8(11)5-6-9(10)12/h3,5-6H,4H2,1-2H3/b7-3+.
What are the key properties of 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione?
1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 126635369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).