5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one

C20H19NO — CID 15063929

IUPAC5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one
SMILESCN1C(=O)C2CCCC2=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H19NO/c1-21-18-13-6-5-10-17(18)19(14-8-3-2-4-9-14)15-11-7-12-16(15)20(21)22/h2-6,8-10,13,16H,7,11-12H2,1H3
InChIKeyDSCYVPJXVQTHSN-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.26
Rot. Bonds1

About 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one

5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one (PubChem CID 15063929) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one.

Molecular Properties

Compound Name5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one
PubChem CID15063929
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one
SMILESCN1C(=O)C2CCCC2=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H19NO/c1-21-18-13-6-5-10-17(18)19(14-8-3-2-4-9-14)15-11-7-12-16(15)20(21)22/h2-6,8-10,13,16H,7,11-12H2,1H3
InChIKeyDSCYVPJXVQTHSN-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one?
The IUPAC name of 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one (CID 15063929) is 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one.
What is the SMILES notation for 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one?
The canonical SMILES for 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one is CN1C(=O)C2CCCC2=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one?
The InChIKey is DSCYVPJXVQTHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21-18-13-6-5-10-17(18)19(14-8-3-2-4-9-14)15-11-7-12-16(15)20(21)22/h2-6,8-10,13,16H,7,11-12H2,1H3.
What are the key properties of 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one?
5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one has a molecular weight of 289.38 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one is sourced from PubChem (CID 15063929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).