2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one

C15H17NO2 — CID 10466956

IUPAC2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one
SMILESCN1C(=O)C2C=CC(C)(C)OC2c2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9,11,13H,1-3H3
InChIKeyUMVUEAAPYGAOSK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.69
Rot. Bonds

About 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one

2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one (PubChem CID 10466956) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one
PubChem CID10466956
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one
SMILESCN1C(=O)C2C=CC(C)(C)OC2c2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9,11,13H,1-3H3
InChIKeyUMVUEAAPYGAOSK-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one (CID 10466956) is 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one is CN1C(=O)C2C=CC(C)(C)OC2c2ccccc21.
What is the InChIKey of 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one?
The InChIKey is UMVUEAAPYGAOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9,11,13H,1-3H3.
What are the key properties of 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one?
2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one has a molecular weight of 243.31 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 10466956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).