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

C10H13NO — CID 130340457

IUPAC2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC1CNC2=CCC=CC=C2O1
InChIInChI=1S/C10H13NO/c1-8-7-11-9-5-3-2-4-6-10(9)12-8/h2,4-6,8,11H,3,7H2,1H3
InChIKeyRTNKTIHYAKNURL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.72
Rot. Bonds

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

2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 130340457) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID130340457
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC1CNC2=CCC=CC=C2O1
InChIInChI=1S/C10H13NO/c1-8-7-11-9-5-3-2-4-6-10(9)12-8/h2,4-6,8,11H,3,7H2,1H3
InChIKeyRTNKTIHYAKNURL-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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Related Compounds

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CID 157996314
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CID 18958909
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CID 57902506
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
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6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine (CID 130340457) is 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine is CC1CNC2=CCC=CC=C2O1.
What is the InChIKey of 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is RTNKTIHYAKNURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-7-11-9-5-3-2-4-6-10(9)12-8/h2,4-6,8,11H,3,7H2,1H3.
What are the key properties of 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
2-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 2-methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 130340457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).