4,9a-dihydroquinolizin-1-one

C9H9NO — CID 7095278

IUPAC4,9a-dihydroquinolizin-1-one
SMILESO=C1C=CCN2C=CC=CC12
InChIInChI=1S/C9H9NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h1-6,8H,7H2
InChIKeyKLRVIMKWSNSQHG-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.88
Rot. Bonds

About 4,9a-dihydroquinolizin-1-one

4,9a-dihydroquinolizin-1-one (PubChem CID 7095278) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4,9a-dihydroquinolizin-1-one.

Molecular Properties

Compound Name4,9a-dihydroquinolizin-1-one
PubChem CID7095278
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4,9a-dihydroquinolizin-1-one
SMILESO=C1C=CCN2C=CC=CC12
InChIInChI=1S/C9H9NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h1-6,8H,7H2
InChIKeyKLRVIMKWSNSQHG-UHFFFAOYSA-N
XLogP0.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,9a-dihydroquinolizin-1-one?
The IUPAC name of 4,9a-dihydroquinolizin-1-one (CID 7095278) is 4,9a-dihydroquinolizin-1-one.
What is the SMILES notation for 4,9a-dihydroquinolizin-1-one?
The canonical SMILES for 4,9a-dihydroquinolizin-1-one is O=C1C=CCN2C=CC=CC12.
What is the InChIKey of 4,9a-dihydroquinolizin-1-one?
The InChIKey is KLRVIMKWSNSQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h1-6,8H,7H2.
What are the key properties of 4,9a-dihydroquinolizin-1-one?
4,9a-dihydroquinolizin-1-one has a molecular weight of 147.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9a-dihydroquinolizin-1-one is sourced from PubChem (CID 7095278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).