N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine

C15H15NO2 — CID 21301576

IUPACN-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine
SMILESCC1(NO)c2ccccc2COc2ccccc21
InChIInChI=1S/C15H15NO2/c1-15(16-17)12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyBUQPCRCMUVTAJB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.82
Rot. Bonds1

About N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine

N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine (PubChem CID 21301576) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine.

Molecular Properties

Compound NameN-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine
PubChem CID21301576
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine
SMILESCC1(NO)c2ccccc2COc2ccccc21
InChIInChI=1S/C15H15NO2/c1-15(16-17)12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyBUQPCRCMUVTAJB-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
CID 14677712
11-hydroxy-11-[2-(methylamino)ethyl]-6H-benzo[c][1]benzoxepine-9-carbonitrile
CID 70385483
11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
CID 14677713
4-benzyl-4-hydroxy-1H-isochromen-3-one
CID 11265285
4,4-dimethyl-1,3-benzodioxine
CID 45117132
(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol
CID 164684749
N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine
CID 22463213
2-[11-[3-(dimethylamino)propyl]-11-hydroxy-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
CID 25022781
11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile
CID 12962160
trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane
CID 101240367
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561835
trimethyl-(1-methyl-3H-2-benzofuran-1-yl)silane
CID 11267868

Frequently Asked Questions

What is the IUPAC name of N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine?
The IUPAC name of N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine (CID 21301576) is N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine.
What is the SMILES notation for N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine?
The canonical SMILES for N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine is CC1(NO)c2ccccc2COc2ccccc21.
What is the InChIKey of N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine?
The InChIKey is BUQPCRCMUVTAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(16-17)12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)15/h2-9,16-17H,10H2,1H3.
What are the key properties of N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine?
N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine is sourced from PubChem (CID 21301576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).