4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine

C12H19NO — CID 137427535

IUPAC4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1C=CC2=C(OCCN2C)C(C)C1
InChIInChI=1S/C12H19NO/c1-9-4-5-11-12(10(2)8-9)14-7-6-13(11)3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyLMZADRCEKXHIBL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.39
Rot. Bonds

About 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine

4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine (PubChem CID 137427535) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine
PubChem CID137427535
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine
SMILESCC1C=CC2=C(OCCN2C)C(C)C1
InChIInChI=1S/C12H19NO/c1-9-4-5-11-12(10(2)8-9)14-7-6-13(11)3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyLMZADRCEKXHIBL-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine?
The IUPAC name of 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine (CID 137427535) is 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine.
What is the SMILES notation for 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine?
The canonical SMILES for 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine is CC1C=CC2=C(OCCN2C)C(C)C1.
What is the InChIKey of 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine?
The InChIKey is LMZADRCEKXHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-11-12(10(2)8-9)14-7-6-13(11)3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine?
4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine has a molecular weight of 193.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,9-trimethyl-3,7,8,9-tetrahydro-2H-cyclohepta[b][1,4]oxazine is sourced from PubChem (CID 137427535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).