1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

C14H19NO — CID 143342026

IUPAC1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
SMILESCCc1ccc2c(c1)CCN(C(C)=O)CC2
InChIInChI=1S/C14H19NO/c1-3-12-4-5-13-6-8-15(11(2)16)9-7-14(13)10-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyGHNMLLNILFPISW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds1

About 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone (PubChem CID 143342026) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
PubChem CID143342026
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
SMILESCCc1ccc2c(c1)CCN(C(C)=O)CC2
InChIInChI=1S/C14H19NO/c1-3-12-4-5-13-6-8-15(11(2)16)9-7-14(13)10-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyGHNMLLNILFPISW-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
ethyl 7-(2-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494890
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-[2-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethyl]-4-hydroxypyridin-2-one
CID 58042685
1-(azetidin-1-yl)-2-(6-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138530494
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethylbenzenesulfonamide
CID 16943705
ethyl 7-(2-amino-2-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 66982292
5-ethyl-1,3-dihydroisoindole-2-carboxylic acid
CID 143402726
1-[7-[(dimethylamino)methyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
CID 86604290
1-(7-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138536083
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
The IUPAC name of 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone (CID 143342026) is 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone.
What is the SMILES notation for 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
The canonical SMILES for 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone is CCc1ccc2c(c1)CCN(C(C)=O)CC2.
What is the InChIKey of 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
The InChIKey is GHNMLLNILFPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-12-4-5-13-6-8-15(11(2)16)9-7-14(13)10-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone is sourced from PubChem (CID 143342026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).