1,6-dimethyl-2,4-dihydro-3,1-benzoxazine

C10H13NO — CID 13021751

IUPAC1,6-dimethyl-2,4-dihydro-3,1-benzoxazine
SMILESCc1ccc2c(c1)COCN2C
InChIInChI=1S/C10H13NO/c1-8-3-4-10-9(5-8)6-12-7-11(10)2/h3-5H,6-7H2,1-2H3
InChIKeyZIRFVNYCSRASDJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.92
Rot. Bonds

About 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine

1,6-dimethyl-2,4-dihydro-3,1-benzoxazine (PubChem CID 13021751) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name1,6-dimethyl-2,4-dihydro-3,1-benzoxazine
PubChem CID13021751
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1,6-dimethyl-2,4-dihydro-3,1-benzoxazine
SMILESCc1ccc2c(c1)COCN2C
InChIInChI=1S/C10H13NO/c1-8-3-4-10-9(5-8)6-12-7-11(10)2/h3-5H,6-7H2,1-2H3
InChIKeyZIRFVNYCSRASDJ-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 30633
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CID 14025914
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CID 215289
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CID 12417658
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CID 15053143
CID 15053143
CID 343555
CID 343555
CID 11829789
CID 11829789
CID 134862659
CID 134862659
CID 139243632
CID 139243632
CID 4594013
CID 4594013
CID 15851991
CID 15851991
CID 13021742
CID 13021742

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine?
The IUPAC name of 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine (CID 13021751) is 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine.
What is the SMILES notation for 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine?
The canonical SMILES for 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine is Cc1ccc2c(c1)COCN2C.
What is the InChIKey of 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine?
The InChIKey is ZIRFVNYCSRASDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-3-4-10-9(5-8)6-12-7-11(10)2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine?
1,6-dimethyl-2,4-dihydro-3,1-benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,4-dihydro-3,1-benzoxazine is sourced from PubChem (CID 13021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).