4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane

C13H21NO — CID 142474861

IUPAC4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
SMILESCC.CC1=CC=C2C(=CC1)OCCN2C
InChIInChI=1S/C11H15NO.C2H6/c1-9-3-5-10-11(6-4-9)13-8-7-12(10)2;1-2/h3,5-6H,4,7-8H2,1-2H3;1-2H3
InChIKeySDFNHAYMBOAIIB-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.09
Rot. Bonds

About 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane

4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane (PubChem CID 142474861) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane.

Molecular Properties

Compound Name4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
PubChem CID142474861
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
SMILESCC.CC1=CC=C2C(=CC1)OCCN2C
InChIInChI=1S/C11H15NO.C2H6/c1-9-3-5-10-11(6-4-9)13-8-7-12(10)2;1-2/h3,5-6H,4,7-8H2,1-2H3;1-2H3
InChIKeySDFNHAYMBOAIIB-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
The IUPAC name of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane (CID 142474861) is 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane.
What is the SMILES notation for 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
The canonical SMILES for 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane is CC.CC1=CC=C2C(=CC1)OCCN2C.
What is the InChIKey of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
The InChIKey is SDFNHAYMBOAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-9-3-5-10-11(6-4-9)13-8-7-12(10)2;1-2/h3,5-6H,4,7-8H2,1-2H3;1-2H3.
What are the key properties of 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane has a molecular weight of 207.32 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane is sourced from PubChem (CID 142474861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).