2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one

C13H18N2O — CID 104525202

IUPAC2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESC[C@@H](N)CN1CCCc2ccccc2C1=O
InChIInChI=1S/C13H18N2O/c1-10(14)9-15-8-4-6-11-5-2-3-7-12(11)13(15)16/h2-3,5,7,10H,4,6,8-9,14H2,1H3/t10-/m1/s1
InChIKeyKKHCFXZRRKQVFF-SNVBAGLBSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds2

About 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one

2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 104525202) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID104525202
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESC[C@@H](N)CN1CCCc2ccccc2C1=O
InChIInChI=1S/C13H18N2O/c1-10(14)9-15-8-4-6-11-5-2-3-7-12(11)13(15)16/h2-3,5,7,10H,4,6,8-9,14H2,1H3/t10-/m1/s1
InChIKeyKKHCFXZRRKQVFF-SNVBAGLBSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-aminohexyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525195
2-[2-methyl-3-(methylamino)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422900
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326
2-(2,3-dihydroxypropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422849
2-[2-(2-methylpropoxy)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 106458025
2-(2-sulfanylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526917
4-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)butanenitrile
CID 113422827
2-[2-cyclopropyl-2-(propylamino)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525240
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526095
2,2-dimethyl-3-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)propanehydrazide
CID 104526869

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one (CID 104525202) is 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one is C[C@@H](N)CN1CCCc2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is KKHCFXZRRKQVFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(14)9-15-8-4-6-11-5-2-3-7-12(11)13(15)16/h2-3,5,7,10H,4,6,8-9,14H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one?
2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 104525202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).