7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C15H20N2O2 — CID 82500531

IUPAC7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESNC(c1ccc2c(c1)NC(=O)CCO2)C1CCCC1
InChIInChI=1S/C15H20N2O2/c16-15(10-3-1-2-4-10)11-5-6-13-12(9-11)17-14(18)7-8-19-13/h5-6,9-10,15H,1-4,7-8,16H2,(H,17,18)
InChIKeyLFBXTJRICPYSQA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds2

About 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82500531) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82500531
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESNC(c1ccc2c(c1)NC(=O)CCO2)C1CCCC1
InChIInChI=1S/C15H20N2O2/c16-15(10-3-1-2-4-10)11-5-6-13-12(9-11)17-14(18)7-8-19-13/h5-6,9-10,15H,1-4,7-8,16H2,(H,17,18)
InChIKeyLFBXTJRICPYSQA-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[amino(cyclooctyl)methyl]-4H-1,4-benzoxazin-3-one
CID 65018254
6-[amino(cyclopentyl)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82500530
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
2-hydroxy-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetic acid
CID 82476602
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
7-[(cyclobutylamino)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82498132
3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)butanoic acid
CID 82498920
1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 110774632

Frequently Asked Questions

What is the IUPAC name of 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82500531) is 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one is NC(c1ccc2c(c1)NC(=O)CCO2)C1CCCC1.
What is the InChIKey of 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is LFBXTJRICPYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-15(10-3-1-2-4-10)11-5-6-13-12(9-11)17-14(18)7-8-19-13/h5-6,9-10,15H,1-4,7-8,16H2,(H,17,18).
What are the key properties of 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82500531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).