7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

C15H20N2O2 — CID 82484685

IUPAC7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2ccc(C3(N)CCCC3)cc21
InChIInChI=1S/C15H20N2O2/c1-17-12-10-11(15(16)7-2-3-8-15)4-5-13(12)19-9-6-14(17)18/h4-5,10H,2-3,6-9,16H2,1H3
InChIKeyUWEBFOBGFHEYSG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds1

About 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82484685) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82484685
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2ccc(C3(N)CCCC3)cc21
InChIInChI=1S/C15H20N2O2/c1-17-12-10-11(15(16)7-2-3-8-15)4-5-13(12)19-9-6-14(17)18/h4-5,10H,2-3,6-9,16H2,1H3
InChIKeyUWEBFOBGFHEYSG-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116872667
5-(1-aminocyclopentyl)-1-methyl-3H-indol-2-one
CID 82288908
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
ethane;5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156843103
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine
CID 96598649
7-(1-aminopropyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82496313
7-(1-amino-2-hydroxypropan-2-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82480880
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
7-(azepane-1-carbonyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 110764143
7-[2-amino-1-(dimethylamino)ethyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501354
7-(1-amino-3-methylbutan-2-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501079

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82484685) is 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is CN1C(=O)CCOc2ccc(C3(N)CCCC3)cc21.
What is the InChIKey of 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is UWEBFOBGFHEYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-12-10-11(15(16)7-2-3-8-15)4-5-13(12)19-9-6-14(17)18/h4-5,10H,2-3,6-9,16H2,1H3.
What are the key properties of 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82484685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).