7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine

Name: 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₃NO — CID 142475043

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine

SMILESCC1=CC=C2OCCNC2=CC1

InChIInChI=1S/C10H13NO/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h3-5,11H,2,6-7H2,1H3

InChIKeyPQIIPCNQUPDQNS-UHFFFAOYSA-N

MW163.22 g/mol

LogP1.72

Rot. Bonds

About 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine

7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 142475043) has the molecular formula C₁₀H₁₃NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name	7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID	142475043
Molecular Formula	C₁₀H₁₃NO
Molecular Weight	163.22 g/mol
Exact Mass	163.10
IUPAC Name	7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
SMILES	CC1=CC=C2OCCNC2=CC1
InChI	InChI=1S/C10H13NO/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h3-5,11H,2,6-7H2,1H3
InChIKey	PQIIPCNQUPDQNS-UHFFFAOYSA-N
XLogP	1.72
TPSA	21.26 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	163.22
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?

The IUPAC name of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine (CID 142475043) is 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine.

What is the SMILES notation for 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?

The canonical SMILES for 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine is CC1=CC=C2OCCNC2=CC1.

What is the InChIKey of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?

The InChIKey is PQIIPCNQUPDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h3-5,11H,2,6-7H2,1H3.

What are the key properties of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?

7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine has a molecular weight of 163.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 142475043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142475043 — identifiers, structure, computed properties (public domain)

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