7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C12H16N2O — CID 82759360

IUPAC7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC[C@@H](N)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C12H16N2O/c1-8(13)9-5-6-11-10(7-9)3-2-4-12(15)14-11/h5-8H,2-4,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeySZWJKHVCWYEHOT-MRVPVSSYSA-N
MW204.27 g/mol
LogP1.98
Rot. Bonds1

About 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 82759360) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID82759360
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC[C@@H](N)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C12H16N2O/c1-8(13)9-5-6-11-10(7-9)3-2-4-12(15)14-11/h5-8H,2-4,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeySZWJKHVCWYEHOT-MRVPVSSYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772
7-(1-chloro-2-cyclopropylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 83148962
7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286
5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
CID 62942189
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
7-[amino-(5-bromofuran-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464756
7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342867

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 82759360) is 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is C[C@@H](N)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is SZWJKHVCWYEHOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(13)9-5-6-11-10(7-9)3-2-4-12(15)14-11/h5-8H,2-4,13H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 82759360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).