1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione

C11H15NO3 — CID 158699380

IUPAC1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione
SMILESC/C=C\CCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-5-6-9(13)12-10(14)7-8-11(12)15/h2-3H,4-8H2,1H3/b3-2-
InChIKeyIHIPEPOOMUQRDQ-IHWYPQMZSA-N
MW209.25 g/mol
LogP1.41
Rot. Bonds4

About 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione

1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione (PubChem CID 158699380) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione
PubChem CID158699380
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione
SMILESC/C=C\CCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-5-6-9(13)12-10(14)7-8-11(12)15/h2-3H,4-8H2,1H3/b3-2-
InChIKeyIHIPEPOOMUQRDQ-IHWYPQMZSA-N
XLogP1.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.41
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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Related Compounds

1-[(E)-hex-3-enyl]pyrrolidine-2,5-dione
CID 12395840
1-Hex-5-enoylpyrrolidine-2,5-dione
CID 154710212
1-[(Z)-hex-3-enyl]pyrrolidine-2,5-dione
CID 12395841
1-[(E)-oct-3-enyl]pyrrolidine-2,5-dione
CID 67592839
1-[(E)-pent-2-enoyl]pyrrolidine-2,5-dione
CID 122423724
1-Pent-4-enoylpyrrolidine-2,5-dione
CID 122423757
1-[(Z)-octadec-9-enoyl]pyrrolidine-2,5-dione
CID 156113156
1-Hex-3-enylpyrrolidine-2,5-dione
CID 173440216
1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione
CID 10821675

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione (CID 158699380) is 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione is C/C=C\CCCC(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione?
The InChIKey is IHIPEPOOMUQRDQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-4-5-6-9(13)12-10(14)7-8-11(12)15/h2-3H,4-8H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione?
1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione has a molecular weight of 209.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158699380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).