4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene

C12H19NO — CID 145318129

IUPAC4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene
SMILESC=C.CC1=CC2=C(CC1)N(C)CCO2
InChIInChI=1S/C10H15NO.C2H4/c1-8-3-4-9-10(7-8)12-6-5-11(9)2;1-2/h7H,3-6H2,1-2H3;1-2H2
InChIKeyFHZCKUGITSIVGD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds

About 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene

4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene (PubChem CID 145318129) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene.

Molecular Properties

Compound Name4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene
PubChem CID145318129
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene
SMILESC=C.CC1=CC2=C(CC1)N(C)CCO2
InChIInChI=1S/C10H15NO.C2H4/c1-8-3-4-9-10(7-8)12-6-5-11(9)2;1-2/h7H,3-6H2,1-2H3;1-2H2
InChIKeyFHZCKUGITSIVGD-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene?
The IUPAC name of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene (CID 145318129) is 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene.
What is the SMILES notation for 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene?
The canonical SMILES for 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene is C=C.CC1=CC2=C(CC1)N(C)CCO2.
What is the InChIKey of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene?
The InChIKey is FHZCKUGITSIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H4/c1-8-3-4-9-10(7-8)12-6-5-11(9)2;1-2/h7H,3-6H2,1-2H3;1-2H2.
What are the key properties of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene?
4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene has a molecular weight of 193.29 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine;ethene is sourced from PubChem (CID 145318129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).