2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

C10H13NO — CID 23587101

IUPAC2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
SMILESCC1(C)CNc2ccccc2O1
InChIInChI=1S/C10H13NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11H,7H2,1-2H3
InChIKeyWILBVUMFTFLAHJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.27
Rot. Bonds

About 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

2,2-dimethyl-3,4-dihydro-1,4-benzoxazine (PubChem CID 23587101) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
PubChem CID23587101
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
SMILESCC1(C)CNc2ccccc2O1
InChIInChI=1S/C10H13NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11H,7H2,1-2H3
InChIKeyWILBVUMFTFLAHJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
The IUPAC name of 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine (CID 23587101) is 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine is CC1(C)CNc2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
The InChIKey is WILBVUMFTFLAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 23587101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).