5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine

C15H18N2O — CID 165410480

IUPAC5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine
SMILESCNC.c1ccc2c(c1)CCc1cccnc1O2
InChIInChI=1S/C13H11NO.C2H7N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)15-12;1-3-2/h1-6,9H,7-8H2;3H,1-2H3
InChIKeyXQFILXURXUSCMP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds

About 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine

5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine (PubChem CID 165410480) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine.

Molecular Properties

Compound Name5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine
PubChem CID165410480
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine
SMILESCNC.c1ccc2c(c1)CCc1cccnc1O2
InChIInChI=1S/C13H11NO.C2H7N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)15-12;1-3-2/h1-6,9H,7-8H2;3H,1-2H3
InChIKeyXQFILXURXUSCMP-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135614
7-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 159917692
5H-[1,5]benzodioxepino[4,3-b]pyridine;methanamine
CID 165410431
3-methyl-5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135593
11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one
CID 165346789
10H-chromeno[2,3-b]pyrazine
CID 140937622
8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
CID 165410285
5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol
CID 23131147
(2E)-2-ethylidene-3,4-dihydrochromene
CID 145341121
N-methyl-5H-chromeno[2,3-b]pyridin-5-amine
CID 12733201
2,3-bis(ethenyl)-4,5-dihydrooxepino[2,3-b]pyridine;methanamine
CID 165410288
[(5S)-5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-5-yl]methanamine
CID 167169305

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine?
The IUPAC name of 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine (CID 165410480) is 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine.
What is the SMILES notation for 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine?
The canonical SMILES for 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine is CNC.c1ccc2c(c1)CCc1cccnc1O2.
What is the InChIKey of 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine?
The InChIKey is XQFILXURXUSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C2H7N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)15-12;1-3-2/h1-6,9H,7-8H2;3H,1-2H3.
What are the key properties of 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine?
5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine is sourced from PubChem (CID 165410480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).