1-hept-6-enylpyrrolidine-2,5-dione

C11H17NO2 — CID 144870638

IUPAC1-hept-6-enylpyrrolidine-2,5-dione
SMILESC=CCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h2H,1,3-9H2
InChIKeyRADOWVFSKHJPKH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds6

About 1-hept-6-enylpyrrolidine-2,5-dione

1-hept-6-enylpyrrolidine-2,5-dione (PubChem CID 144870638) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-hept-6-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hept-6-enylpyrrolidine-2,5-dione
PubChem CID144870638
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-hept-6-enylpyrrolidine-2,5-dione
SMILESC=CCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h2H,1,3-9H2
InChIKeyRADOWVFSKHJPKH-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
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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Related Compounds

1-Pent-4-enylpyrrolidine-2,5-dione
CID 357830
1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]pyrrolidine-2,5-dione
CID 45484093
1-(But-3-en-1-yl)pyrrolidine-2,5-dione
CID 12395836
3-Succinimidylcyclohexene
CID 13386938
1-[(E)-hex-1-enyl]pyrrolidine-2,5-dione
CID 12174707
1-(Pyrrolidin-1-yl)hex-5-en-1-one
CID 168267356
N-(Hept-1-enyl)-pyrrolidin-2-one
CID 5371391
1-Pyrrolidin-1-ylhept-6-en-1-one
CID 86114369
5-Ethenyl-1-hex-5-enylpyrrolidin-2-one
CID 121012339
5-Ethenyl-1-pent-4-enylpyrrolidin-2-one
CID 121220896
1-[(E)-5-bromopent-4-enyl]pyrrolidine-2,5-dione
CID 134969395
1-Hex-5-enoylpyrrolidine-2,5-dione
CID 154710212

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-hept-6-enylpyrrolidine-2,5-dione (CID 144870638) is 1-hept-6-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hept-6-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hept-6-enylpyrrolidine-2,5-dione is C=CCCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-hept-6-enylpyrrolidine-2,5-dione?
The InChIKey is RADOWVFSKHJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h2H,1,3-9H2.
What are the key properties of 1-hept-6-enylpyrrolidine-2,5-dione?
1-hept-6-enylpyrrolidine-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 144870638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).