2,3,4,6,7,10-hexahydro-1H-phenoxazine

C12H15NO — CID 139266890

IUPAC2,3,4,6,7,10-hexahydro-1H-phenoxazine
SMILESC1=CC2=C(CC1)OC1=C(CCCC1)N2
InChIInChI=1S/C12H15NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,5,13H,2-4,6-8H2
InChIKeySHMBQRBWKHQGBE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.95
Rot. Bonds

About 2,3,4,6,7,10-hexahydro-1H-phenoxazine

2,3,4,6,7,10-hexahydro-1H-phenoxazine (PubChem CID 139266890) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,6,7,10-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name2,3,4,6,7,10-hexahydro-1H-phenoxazine
PubChem CID139266890
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,4,6,7,10-hexahydro-1H-phenoxazine
SMILESC1=CC2=C(CC1)OC1=C(CCCC1)N2
InChIInChI=1S/C12H15NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,5,13H,2-4,6-8H2
InChIKeySHMBQRBWKHQGBE-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,10-hexahydro-1H-phenoxazine?
The IUPAC name of 2,3,4,6,7,10-hexahydro-1H-phenoxazine (CID 139266890) is 2,3,4,6,7,10-hexahydro-1H-phenoxazine.
What is the SMILES notation for 2,3,4,6,7,10-hexahydro-1H-phenoxazine?
The canonical SMILES for 2,3,4,6,7,10-hexahydro-1H-phenoxazine is C1=CC2=C(CC1)OC1=C(CCCC1)N2.
What is the InChIKey of 2,3,4,6,7,10-hexahydro-1H-phenoxazine?
The InChIKey is SHMBQRBWKHQGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,5,13H,2-4,6-8H2.
What are the key properties of 2,3,4,6,7,10-hexahydro-1H-phenoxazine?
2,3,4,6,7,10-hexahydro-1H-phenoxazine has a molecular weight of 189.26 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,10-hexahydro-1H-phenoxazine is sourced from PubChem (CID 139266890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).