6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one

C19H21NO — CID 142058260

IUPAC6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one
SMILESCC(C)C1C(=O)N(C)C2=C(C=CCC=C2)c2ccccc21
InChIInChI=1S/C19H21NO/c1-13(2)18-16-11-8-7-9-14(16)15-10-5-4-6-12-17(15)20(3)19(18)21/h5-13,18H,4H2,1-3H3
InChIKeyAZFMPTGHGZKCJZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.13
Rot. Bonds1

About 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one

6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one (PubChem CID 142058260) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one.

Molecular Properties

Compound Name6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one
PubChem CID142058260
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one
SMILESCC(C)C1C(=O)N(C)C2=C(C=CCC=C2)c2ccccc21
InChIInChI=1S/C19H21NO/c1-13(2)18-16-11-8-7-9-14(16)15-10-5-4-6-12-17(15)20(3)19(18)21/h5-13,18H,4H2,1-3H3
InChIKeyAZFMPTGHGZKCJZ-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one?
The IUPAC name of 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one (CID 142058260) is 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one.
What is the SMILES notation for 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one?
The canonical SMILES for 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one is CC(C)C1C(=O)N(C)C2=C(C=CCC=C2)c2ccccc21.
What is the InChIKey of 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one?
The InChIKey is AZFMPTGHGZKCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)18-16-11-8-7-9-14(16)15-10-5-4-6-12-17(15)20(3)19(18)21/h5-13,18H,4H2,1-3H3.
What are the key properties of 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one?
6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one has a molecular weight of 279.38 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one is sourced from PubChem (CID 142058260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).