10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one

C15H17NO — CID 118609755

IUPAC10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one
SMILESCC1(C)C=CC2=C(C1)c1cccc(=O)n1CC2
InChIInChI=1S/C15H17NO/c1-15(2)8-6-11-7-9-16-13(12(11)10-15)4-3-5-14(16)17/h3-6,8H,7,9-10H2,1-2H3
InChIKeyWOSKGZZXODTMPZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.99
Rot. Bonds

About 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one

10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one (PubChem CID 118609755) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one
PubChem CID118609755
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one
SMILESCC1(C)C=CC2=C(C1)c1cccc(=O)n1CC2
InChIInChI=1S/C15H17NO/c1-15(2)8-6-11-7-9-16-13(12(11)10-15)4-3-5-14(16)17/h3-6,8H,7,9-10H2,1-2H3
InChIKeyWOSKGZZXODTMPZ-UHFFFAOYSA-N
XLogP2.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one?
The IUPAC name of 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one (CID 118609755) is 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one.
What is the SMILES notation for 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one?
The canonical SMILES for 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one is CC1(C)C=CC2=C(C1)c1cccc(=O)n1CC2.
What is the InChIKey of 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one?
The InChIKey is WOSKGZZXODTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(2)8-6-11-7-9-16-13(12(11)10-15)4-3-5-14(16)17/h3-6,8H,7,9-10H2,1-2H3.
What are the key properties of 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one?
10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one has a molecular weight of 227.31 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one is sourced from PubChem (CID 118609755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).