1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone

C13H15NO — CID 147230282

IUPAC1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone
SMILESC=C1CN(C(C)=O)CCc2ccccc21
InChIInChI=1S/C13H15NO/c1-10-9-14(11(2)15)8-7-12-5-3-4-6-13(10)12/h3-6H,1,7-9H2,2H3
InChIKeyMAQTUVXSWDQYPV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.10
Rot. Bonds

About 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone

1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone (PubChem CID 147230282) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone
PubChem CID147230282
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone
SMILESC=C1CN(C(C)=O)CCc2ccccc21
InChIInChI=1S/C13H15NO/c1-10-9-14(11(2)15)8-7-12-5-3-4-6-13(10)12/h3-6H,1,7-9H2,2H3
InChIKeyMAQTUVXSWDQYPV-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
1-(5-bromo-1,2-dihydro-3-benzazepin-3-yl)ethanone
CID 22620743
tert-butyl 5-oxo-2,4-dihydro-1H-3-benzazepine-3-carboxylate
CID 178199983
2-acetyl-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 53302222
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-8-yl)prop-2-enamide
CID 143049262
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-en-1-one
CID 11264387

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone?
The IUPAC name of 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone (CID 147230282) is 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone.
What is the SMILES notation for 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone?
The canonical SMILES for 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone is C=C1CN(C(C)=O)CCc2ccccc21.
What is the InChIKey of 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone?
The InChIKey is MAQTUVXSWDQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-9-14(11(2)15)8-7-12-5-3-4-6-13(10)12/h3-6H,1,7-9H2,2H3.
What are the key properties of 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone?
1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone is sourced from PubChem (CID 147230282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).