(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine

C13H12N2O — CID 129362353

IUPAC(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
SMILESN[C@H]1c2ccccc2OCc2ncccc21
InChIInChI=1S/C13H12N2O/c14-13-9-5-3-7-15-11(9)8-16-12-6-2-1-4-10(12)13/h1-7,13H,8,14H2/t13-/m1/s1
InChIKeyJNMWVKAEZFXVBQ-CYBMUJFWSA-N
MW212.25 g/mol
LogP2.02
Rot. Bonds

About (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine

(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine (PubChem CID 129362353) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine.

Molecular Properties

Compound Name(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
PubChem CID129362353
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
SMILESN[C@H]1c2ccccc2OCc2ncccc21
InChIInChI=1S/C13H12N2O/c14-13-9-5-3-7-15-11(9)8-16-12-6-2-1-4-10(12)13/h1-7,13H,8,14H2/t13-/m1/s1
InChIKeyJNMWVKAEZFXVBQ-CYBMUJFWSA-N
XLogP2.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,11-dihydro-[1]benzoxepino[3,4-b]pyridine-11-carboxylic acid
CID 10421800
(11S)-9-methyl-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-ol
CID 129395201
bis(N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-dimethylethane-1,2-diamine);hydrate;hexahydrochloride
CID 24837897
N-(1-azabicyclo[2.2.2]octan-3-yl)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
CID 13469343
N-cyclohexyl-N'-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)propane-1,3-diamine
CID 13469337
11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol
CID 42635064
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
CID 159634952
3-pyrimidin-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 64648061
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
bicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 69401659

Frequently Asked Questions

What is the IUPAC name of (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine?
The IUPAC name of (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine (CID 129362353) is (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine.
What is the SMILES notation for (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine?
The canonical SMILES for (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine is N[C@H]1c2ccccc2OCc2ncccc21.
What is the InChIKey of (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine?
The InChIKey is JNMWVKAEZFXVBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13-9-5-3-7-15-11(9)8-16-12-6-2-1-4-10(12)13/h1-7,13H,8,14H2/t13-/m1/s1.
What are the key properties of (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine?
(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine has a molecular weight of 212.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine is sourced from PubChem (CID 129362353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).