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

C13H18N2O — CID 103934798

IUPAC1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESC[C@H](N)CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-10(14)9-15-12-7-3-2-5-11(12)6-4-8-13(15)16/h2-3,5,7,10H,4,6,8-9,14H2,1H3/t10-/m0/s1
InChIKeyIZJXKGPWIDRQIR-JTQLQIEISA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds2

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

1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 103934798) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID103934798
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESC[C@H](N)CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-10(14)9-15-12-7-3-2-5-11(12)6-4-8-13(15)16/h2-3,5,7,10H,4,6,8-9,14H2,1H3/t10-/m0/s1
InChIKeyIZJXKGPWIDRQIR-JTQLQIEISA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
1-[(2S)-2-aminopropyl]piperidine-2,6-dione
CID 93050253
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
1-[3-(ethylamino)-2-hydroxypropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43343208
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342817
1-[2-amino-2-(furan-2-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 16789221
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
1-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388012
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
CID 30813187
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 103934798) is 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one is C[C@H](N)CN1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is IZJXKGPWIDRQIR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(14)9-15-12-7-3-2-5-11(12)6-4-8-13(15)16/h2-3,5,7,10H,4,6,8-9,14H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 103934798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).