1a,7b-dideuteriooxireno[2,3-f]quinoline

C9H7NO — CID 100921913

IUPAC1a,7b-dideuteriooxireno[2,3-f]quinoline
SMILES[2H]C12C=Cc3ncccc3C1([2H])O2
InChIInChI=1S/C9H7NO/c1-2-6-7(10-5-1)3-4-8-9(6)11-8/h1-5,8-9H/i8D,9D
InChIKeyDUTMSHWTRSUNIF-XETGXLELSA-N
MW147.17 g/mol
LogP1.55
Rot. Bonds

About 1a,7b-dideuteriooxireno[2,3-f]quinoline

1a,7b-dideuteriooxireno[2,3-f]quinoline (PubChem CID 100921913) has the molecular formula C9H7NO and a molecular weight of 147.17 g/mol. Its IUPAC name is 1a,7b-dideuteriooxireno[2,3-f]quinoline.

Molecular Properties

Compound Name1a,7b-dideuteriooxireno[2,3-f]quinoline
PubChem CID100921913
Molecular FormulaC9H7NO
Molecular Weight147.17 g/mol
Exact Mass147.07
IUPAC Name1a,7b-dideuteriooxireno[2,3-f]quinoline
SMILES[2H]C12C=Cc3ncccc3C1([2H])O2
InChIInChI=1S/C9H7NO/c1-2-6-7(10-5-1)3-4-8-9(6)11-8/h1-5,8-9H/i8D,9D
InChIKeyDUTMSHWTRSUNIF-XETGXLELSA-N
XLogP1.55
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.55
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 1a,7b-dideuteriooxireno[2,3-f]quinoline?
The IUPAC name of 1a,7b-dideuteriooxireno[2,3-f]quinoline (CID 100921913) is 1a,7b-dideuteriooxireno[2,3-f]quinoline.
What is the SMILES notation for 1a,7b-dideuteriooxireno[2,3-f]quinoline?
The canonical SMILES for 1a,7b-dideuteriooxireno[2,3-f]quinoline is [2H]C12C=Cc3ncccc3C1([2H])O2.
What is the InChIKey of 1a,7b-dideuteriooxireno[2,3-f]quinoline?
The InChIKey is DUTMSHWTRSUNIF-XETGXLELSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-6-7(10-5-1)3-4-8-9(6)11-8/h1-5,8-9H/i8D,9D.
What are the key properties of 1a,7b-dideuteriooxireno[2,3-f]quinoline?
1a,7b-dideuteriooxireno[2,3-f]quinoline has a molecular weight of 147.17 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,7b-dideuteriooxireno[2,3-f]quinoline is sourced from PubChem (CID 100921913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).