1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one

C15H19NO — CID 22245841

IUPAC1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one
SMILESCCCN1CCC2=C3C(=CCCC31)C(=O)C=C2
InChIInChI=1S/C15H19NO/c1-2-9-16-10-8-11-6-7-14(17)12-4-3-5-13(16)15(11)12/h4,6-7,13H,2-3,5,8-10H2,1H3
InChIKeyBQLDXMZRFQSNGL-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.63
Rot. Bonds2

About 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one

1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one (PubChem CID 22245841) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one.

Molecular Properties

Compound Name1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one
PubChem CID22245841
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one
SMILESCCCN1CCC2=C3C(=CCCC31)C(=O)C=C2
InChIInChI=1S/C15H19NO/c1-2-9-16-10-8-11-6-7-14(17)12-4-3-5-13(16)15(11)12/h4,6-7,13H,2-3,5,8-10H2,1H3
InChIKeyBQLDXMZRFQSNGL-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one?
The IUPAC name of 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one (CID 22245841) is 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one.
What is the SMILES notation for 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one?
The canonical SMILES for 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one is CCCN1CCC2=C3C(=CCCC31)C(=O)C=C2.
What is the InChIKey of 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one?
The InChIKey is BQLDXMZRFQSNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-9-16-10-8-11-6-7-14(17)12-4-3-5-13(16)15(11)12/h4,6-7,13H,2-3,5,8-10H2,1H3.
What are the key properties of 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one?
1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one has a molecular weight of 229.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-one is sourced from PubChem (CID 22245841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).