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

C10H13NO — CID 142475043

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 Name7-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID142475043
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name7-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
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).