3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine

C9H12N2O — CID 126554571

IUPAC3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
SMILESCC1CNc2ncccc2OC1
InChIInChI=1S/C9H12N2O/c1-7-5-11-9-8(12-6-7)3-2-4-10-9/h2-4,7H,5-6H2,1H3,(H,10,11)
InChIKeyWIPMTHVNFJZTDU-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.52
Rot. Bonds

About 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine

3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine (PubChem CID 126554571) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine.

Molecular Properties

Compound Name3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
PubChem CID126554571
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine
SMILESCC1CNc2ncccc2OC1
InChIInChI=1S/C9H12N2O/c1-7-5-11-9-8(12-6-7)3-2-4-10-9/h2-4,7H,5-6H2,1H3,(H,10,11)
InChIKeyWIPMTHVNFJZTDU-UHFFFAOYSA-N
XLogP1.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
The IUPAC name of 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine (CID 126554571) is 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine.
What is the SMILES notation for 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
The canonical SMILES for 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine is CC1CNc2ncccc2OC1.
What is the InChIKey of 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
The InChIKey is WIPMTHVNFJZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-5-11-9-8(12-6-7)3-2-4-10-9/h2-4,7H,5-6H2,1H3,(H,10,11).
What are the key properties of 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine?
3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine has a molecular weight of 164.21 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine is sourced from PubChem (CID 126554571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).