2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one

C15H19NO — CID 113422912

IUPAC2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
SMILESO=C1c2ccccc2CCCN1CCC1CC1
InChIInChI=1S/C15H19NO/c17-15-14-6-2-1-4-13(14)5-3-10-16(15)11-9-12-7-8-12/h1-2,4,6,12H,3,5,7-11H2
InChIKeyCLWZIRKFGNOGFX-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one

2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 113422912) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID113422912
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
SMILESO=C1c2ccccc2CCCN1CCC1CC1
InChIInChI=1S/C15H19NO/c17-15-14-6-2-1-4-13(14)5-3-10-16(15)11-9-12-7-8-12/h1-2,4,6,12H,3,5,7-11H2
InChIKeyCLWZIRKFGNOGFX-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-sulfanylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526917
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155
2-(3-pyrrolidin-2-ylpropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526005
4-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)butanenitrile
CID 113422827
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
2-[2-(2-methylpyrazol-3-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103015506
2-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525226
2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525202
2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 105409234
2-(5-aminohexyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525195

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one (CID 113422912) is 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one is O=C1c2ccccc2CCCN1CCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is CLWZIRKFGNOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-14-6-2-1-4-13(14)5-3-10-16(15)11-9-12-7-8-12/h1-2,4,6,12H,3,5,7-11H2.
What are the key properties of 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one?
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 113422912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).