3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one

C13H15NO — CID 67920056

IUPAC3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one
SMILESO=C1C=C2C3C=CC=CC3CCN2CC1
InChIInChI=1S/C13H15NO/c15-11-6-8-14-7-5-10-3-1-2-4-12(10)13(14)9-11/h1-4,9-10,12H,5-8H2
InChIKeyGTCSJONSGWPHCU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.91
Rot. Bonds

About 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one

3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one (PubChem CID 67920056) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one
PubChem CID67920056
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one
SMILESO=C1C=C2C3C=CC=CC3CCN2CC1
InChIInChI=1S/C13H15NO/c15-11-6-8-14-7-5-10-3-1-2-4-12(10)13(14)9-11/h1-4,9-10,12H,5-8H2
InChIKeyGTCSJONSGWPHCU-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one?
The IUPAC name of 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one (CID 67920056) is 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one is O=C1C=C2C3C=CC=CC3CCN2CC1.
What is the InChIKey of 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one?
The InChIKey is GTCSJONSGWPHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-11-6-8-14-7-5-10-3-1-2-4-12(10)13(14)9-11/h1-4,9-10,12H,5-8H2.
What are the key properties of 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one?
3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one has a molecular weight of 201.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,7a,11a-hexahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 67920056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).