1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione

C14H17NO2 — CID 81104553

IUPAC1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESC=CCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-2-3-4-10-15-12-6-5-7-13(16)11(12)8-9-14(15)17/h2,8-9H,1,3-7,10H2
InChIKeyKRWBQFMQEIBULN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.33
Rot. Bonds4

About 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione

1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104553) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104553
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESC=CCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-2-3-4-10-15-12-6-5-7-13(16)11(12)8-9-14(15)17/h2,8-9H,1,3-7,10H2
InChIKeyKRWBQFMQEIBULN-UHFFFAOYSA-N
XLogP2.33
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104553) is 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione is C=CCCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is KRWBQFMQEIBULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-3-4-10-15-12-6-5-7-13(16)11(12)8-9-14(15)17/h2,8-9H,1,3-7,10H2.
What are the key properties of 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione?
1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 231.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).