ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one

C16H25NO — CID 91409166

IUPACethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCC.CC1c2ccccc2C(=O)N(C)C(C)C1C
InChIInChI=1S/C14H19NO.C2H6/c1-9-10(2)12-7-5-6-8-13(12)14(16)15(4)11(9)3;1-2/h5-11H,1-4H3;1-2H3
InChIKeyFVHGEFOVWGJXFX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds

About ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one

ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 91409166) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Nameethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID91409166
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCC.CC1c2ccccc2C(=O)N(C)C(C)C1C
InChIInChI=1S/C14H19NO.C2H6/c1-9-10(2)12-7-5-6-8-13(12)14(16)15(4)11(9)3;1-2/h5-11H,1-4H3;1-2H3
InChIKeyFVHGEFOVWGJXFX-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 82579599
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
(3aR,9bS)-2-chloro-4-methyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one
CID 89164914
2-methyl-3-(2-oxopropyl)-3H-isoindol-1-one
CID 12648024
4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 13308582
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924
(1S,10S)-13-hydroxy-9-methyl-9-azatricyclo[8.2.1.02,7]trideca-2,4,6,11-tetraen-8-one
CID 102197195
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
ethane;1,2,3-trimethyl-2,3-dihydroindole
CID 91500184
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
(3S,4R)-3-(2-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 94071375
3-but-3-enyl-2-methyl-3H-isoindol-1-one
CID 138969079

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one (CID 91409166) is ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one is CC.CC1c2ccccc2C(=O)N(C)C(C)C1C.
What is the InChIKey of ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is FVHGEFOVWGJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-9-10(2)12-7-5-6-8-13(12)14(16)15(4)11(9)3;1-2/h5-11H,1-4H3;1-2H3.
What are the key properties of ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one?
ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 91409166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).