9aH-quinolizine-1,4-dione

C9H7NO2 — CID 23507772

IUPAC9aH-quinolizine-1,4-dione
SMILESO=C1C=CC(=O)N2C=CC=CC12
InChIInChI=1S/C9H7NO2/c11-8-4-5-9(12)10-6-2-1-3-7(8)10/h1-7H
InChIKeyDXJPPKKNILDYDI-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.41
Rot. Bonds

About 9aH-quinolizine-1,4-dione

9aH-quinolizine-1,4-dione (PubChem CID 23507772) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 9aH-quinolizine-1,4-dione.

Molecular Properties

Compound Name9aH-quinolizine-1,4-dione
PubChem CID23507772
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name9aH-quinolizine-1,4-dione
SMILESO=C1C=CC(=O)N2C=CC=CC12
InChIInChI=1S/C9H7NO2/c11-8-4-5-9(12)10-6-2-1-3-7(8)10/h1-7H
InChIKeyDXJPPKKNILDYDI-UHFFFAOYSA-N
XLogP0.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9aH-quinolizine-1,4-dione?
The IUPAC name of 9aH-quinolizine-1,4-dione (CID 23507772) is 9aH-quinolizine-1,4-dione.
What is the SMILES notation for 9aH-quinolizine-1,4-dione?
The canonical SMILES for 9aH-quinolizine-1,4-dione is O=C1C=CC(=O)N2C=CC=CC12.
What is the InChIKey of 9aH-quinolizine-1,4-dione?
The InChIKey is DXJPPKKNILDYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-4-5-9(12)10-6-2-1-3-7(8)10/h1-7H.
What are the key properties of 9aH-quinolizine-1,4-dione?
9aH-quinolizine-1,4-dione has a molecular weight of 161.16 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9aH-quinolizine-1,4-dione is sourced from PubChem (CID 23507772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).