3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

C18H15NO2 — CID 162837479

IUPAC3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(ccc3c(=O)c4ccccc4[nH]c23)O1
InChIInChI=1S/C18H15NO2/c1-18(2)10-9-12-15(21-18)8-7-13-16(12)19-14-6-4-3-5-11(14)17(13)20/h3-10H,1-2H3,(H,19,20)
InChIKeyKTYOMDAQMUMSNR-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.87
Rot. Bonds

About 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (PubChem CID 162837479) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID162837479
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(ccc3c(=O)c4ccccc4[nH]c23)O1
InChIInChI=1S/C18H15NO2/c1-18(2)10-9-12-15(21-18)8-7-13-16(12)19-14-6-4-3-5-11(14)17(13)20/h3-10H,1-2H3,(H,19,20)
InChIKeyKTYOMDAQMUMSNR-UHFFFAOYSA-N
XLogP3.87
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 5479541
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
3,4-dichloro-10H-acridin-9-one
CID 138629142
8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one
CID 10825913
6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
CID 163098872
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one
CID 11357304
3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one
CID 12593744
3,3-dimethyl-8-nitro-[1]benzofuro[3,2-f]chromene
CID 69398684
methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
CID 51039827
2,2,5,6-tetramethylbenzo[h]chromene
CID 21339666

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The IUPAC name of 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (CID 162837479) is 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is CC1(C)C=Cc2c(ccc3c(=O)c4ccccc4[nH]c23)O1.
What is the InChIKey of 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The InChIKey is KTYOMDAQMUMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-18(2)10-9-12-15(21-18)8-7-13-16(12)19-14-6-4-3-5-11(14)17(13)20/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one has a molecular weight of 277.32 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 162837479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).