11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one

C15H14N2O2 — CID 129202957

IUPAC11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one
SMILESNC(O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,15,19H,9,16H2
InChIKeyFMCFDKNILPJDCT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.80
Rot. Bonds1

About 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one

11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one (PubChem CID 129202957) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one.

Molecular Properties

Compound Name11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one
PubChem CID129202957
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one
SMILESNC(O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,15,19H,9,16H2
InChIKeyFMCFDKNILPJDCT-UHFFFAOYSA-N
XLogP1.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
CID 28424
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 158215150
3-imino-1H-inden-2-one
CID 142098046
10H-phenanthren-9-one;phosphoryl trichloride
CID 123741293
1-nitroquinoline-2,4-dione
CID 172714245
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
[(5S)-11-[amino(hydroxy)methyl]-5,6-dihydrobenzo[b][1]benzazepin-5-yl] (2R)-2-acetyloxy-2-phenylacetate
CID 130348249
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926596

Frequently Asked Questions

What is the IUPAC name of 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one?
The IUPAC name of 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one (CID 129202957) is 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one.
What is the SMILES notation for 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one?
The canonical SMILES for 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one is NC(O)N1c2ccccc2CC(=O)c2ccccc21.
What is the InChIKey of 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one?
The InChIKey is FMCFDKNILPJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,15,19H,9,16H2.
What are the key properties of 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one?
11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one has a molecular weight of 254.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one is sourced from PubChem (CID 129202957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).