7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane

C14H19NO — CID 144564580

IUPAC7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane
SMILESCC.Cc1cc2c(cc1C)CC(=O)NC=C2
InChIInChI=1S/C12H13NO.C2H6/c1-8-5-10-3-4-13-12(14)7-11(10)6-9(8)2;1-2/h3-6H,7H2,1-2H3,(H,13,14);1-2H3
InChIKeyZPEPUBCGRYJPDG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.97
Rot. Bonds

About 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane

7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane (PubChem CID 144564580) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane.

Molecular Properties

Compound Name7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane
PubChem CID144564580
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane
SMILESCC.Cc1cc2c(cc1C)CC(=O)NC=C2
InChIInChI=1S/C12H13NO.C2H6/c1-8-5-10-3-4-13-12(14)7-11(10)6-9(8)2;1-2/h3-6H,7H2,1-2H3,(H,13,14);1-2H3
InChIKeyZPEPUBCGRYJPDG-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane?
The IUPAC name of 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane (CID 144564580) is 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane.
What is the SMILES notation for 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane?
The canonical SMILES for 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane is CC.Cc1cc2c(cc1C)CC(=O)NC=C2.
What is the InChIKey of 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane?
The InChIKey is ZPEPUBCGRYJPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C2H6/c1-8-5-10-3-4-13-12(14)7-11(10)6-9(8)2;1-2/h3-6H,7H2,1-2H3,(H,13,14);1-2H3.
What are the key properties of 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane?
7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane has a molecular weight of 217.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane is sourced from PubChem (CID 144564580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).