1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone

C19H19NO — CID 10683943

IUPAC1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone
SMILESCC(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C19H19NO/c1-12(21)15-7-4-6-14-11-17-19-13(9-10-20(17)2)5-3-8-16(19)18(14)15/h3-8,17H,9-11H2,1-2H3/t17-/m1/s1
InChIKeyZAAVRXQHDCCUQJ-QGZVFWFLSA-N
MW277.37 g/mol
LogP3.64
Rot. Bonds1

About 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone

1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone (PubChem CID 10683943) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone.

Molecular Properties

Compound Name1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone
PubChem CID10683943
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone
SMILESCC(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C19H19NO/c1-12(21)15-7-4-6-14-11-17-19-13(9-10-20(17)2)5-3-8-16(19)18(14)15/h3-8,17H,9-11H2,1-2H3/t17-/m1/s1
InChIKeyZAAVRXQHDCCUQJ-QGZVFWFLSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone?
The IUPAC name of 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone (CID 10683943) is 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone.
What is the SMILES notation for 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone?
The canonical SMILES for 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone is CC(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone?
The InChIKey is ZAAVRXQHDCCUQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19NO/c1-12(21)15-7-4-6-14-11-17-19-13(9-10-20(17)2)5-3-8-16(19)18(14)15/h3-8,17H,9-11H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone?
1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]ethanone is sourced from PubChem (CID 10683943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).