8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C14H19NO — CID 10443350

IUPAC8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1ccc2c(c1)NC(=O)CCC2C(C)C
InChIInChI=1S/C14H19NO/c1-9(2)11-6-7-14(16)15-13-8-10(3)4-5-12(11)13/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyWIEHMNXXHPYXSY-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.47
Rot. Bonds1

About 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one

8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 10443350) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID10443350
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1ccc2c(c1)NC(=O)CCC2C(C)C
InChIInChI=1S/C14H19NO/c1-9(2)11-6-7-14(16)15-13-8-10(3)4-5-12(11)13/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyWIEHMNXXHPYXSY-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 10443350) is 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one is Cc1ccc2c(c1)NC(=O)CCC2C(C)C.
What is the InChIKey of 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is WIEHMNXXHPYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)11-6-7-14(16)15-13-8-10(3)4-5-12(11)13/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 10443350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).