(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

C15H20N2O2 — CID 64824026

IUPAC(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESNC1CCCC1C(=O)N1CCOc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c16-13-6-3-5-12(13)15(18)17-8-9-19-14-7-2-1-4-11(14)10-17/h1-2,4,7,12-13H,3,5-6,8-10,16H2
InChIKeyKRQDRGKPVDOLFI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.53
Rot. Bonds1

About (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (PubChem CID 64824026) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
PubChem CID64824026
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESNC1CCCC1C(=O)N1CCOc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c16-13-6-3-5-12(13)15(18)17-8-9-19-14-7-2-1-4-11(14)10-17/h1-2,4,7,12-13H,3,5-6,8-10,16H2
InChIKeyKRQDRGKPVDOLFI-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 64824668
[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 124515765
3-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550512
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid
CID 55160402
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methanone
CID 124742456
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone
CID 116655908
ethyl 3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 61068779
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
N'-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 77054123
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(2-hydroxyphenyl)methanone
CID 61149413
2-bromo-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 107904804
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclohexan-1-ol
CID 63192865

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (CID 64824026) is (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is NC1CCCC1C(=O)N1CCOc2ccccc2C1.
What is the InChIKey of (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The InChIKey is KRQDRGKPVDOLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-6-3-5-12(13)15(18)17-8-9-19-14-7-2-1-4-11(14)10-17/h1-2,4,7,12-13H,3,5-6,8-10,16H2.
What are the key properties of (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is sourced from PubChem (CID 64824026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).