4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine

C10H15NO — CID 59613732

IUPAC4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
SMILESCC1=CC2C(C=C1)OCCN2C
InChIInChI=1S/C10H15NO/c1-8-3-4-10-9(7-8)11(2)5-6-12-10/h3-4,7,9-10H,5-6H2,1-2H3
InChIKeyREOQKBSSXRWXDF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.20
Rot. Bonds

About 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine

4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine (PubChem CID 59613732) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Name4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
PubChem CID59613732
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
SMILESCC1=CC2C(C=C1)OCCN2C
InChIInChI=1S/C10H15NO/c1-8-3-4-10-9(7-8)11(2)5-6-12-10/h3-4,7,9-10H,5-6H2,1-2H3
InChIKeyREOQKBSSXRWXDF-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The IUPAC name of 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine (CID 59613732) is 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The canonical SMILES for 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine is CC1=CC2C(C=C1)OCCN2C.
What is the InChIKey of 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The InChIKey is REOQKBSSXRWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-4-10-9(7-8)11(2)5-6-12-10/h3-4,7,9-10H,5-6H2,1-2H3.
What are the key properties of 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine has a molecular weight of 165.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 59613732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).