6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline

C12H13NO — CID 154699503

IUPAC6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline
SMILESCCCc1ccc2c(n1)C1OC1C=C2
InChIInChI=1S/C12H13NO/c1-2-3-9-6-4-8-5-7-10-12(14-10)11(8)13-9/h4-7,10,12H,2-3H2,1H3
InChIKeyBDFVUGCETZCMBD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.50
Rot. Bonds2

About 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline

6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline (PubChem CID 154699503) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline.

Molecular Properties

Compound Name6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline
PubChem CID154699503
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline
SMILESCCCc1ccc2c(n1)C1OC1C=C2
InChIInChI=1S/C12H13NO/c1-2-3-9-6-4-8-5-7-10-12(14-10)11(8)13-9/h4-7,10,12H,2-3H2,1H3
InChIKeyBDFVUGCETZCMBD-UHFFFAOYSA-N
XLogP2.50
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline?
The IUPAC name of 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline (CID 154699503) is 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline.
What is the SMILES notation for 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline?
The canonical SMILES for 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline is CCCc1ccc2c(n1)C1OC1C=C2.
What is the InChIKey of 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline?
The InChIKey is BDFVUGCETZCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-3-9-6-4-8-5-7-10-12(14-10)11(8)13-9/h4-7,10,12H,2-3H2,1H3.
What are the key properties of 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline?
6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline has a molecular weight of 187.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline is sourced from PubChem (CID 154699503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).