2,4a,7,8,10,10a-hexahydro-1H-phenoxazine

C12H15NO — CID 155221042

IUPAC2,4a,7,8,10,10a-hexahydro-1H-phenoxazine
SMILESC1=CC2OC3=CCCC=C3NC2CC1
InChIInChI=1S/C12H15NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h3,6-9,11,13H,1-2,4-5H2
InChIKeyQFEYTIBDXJCPRT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.26
Rot. Bonds

About 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine

2,4a,7,8,10,10a-hexahydro-1H-phenoxazine (PubChem CID 155221042) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name2,4a,7,8,10,10a-hexahydro-1H-phenoxazine
PubChem CID155221042
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,4a,7,8,10,10a-hexahydro-1H-phenoxazine
SMILESC1=CC2OC3=CCCC=C3NC2CC1
InChIInChI=1S/C12H15NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h3,6-9,11,13H,1-2,4-5H2
InChIKeyQFEYTIBDXJCPRT-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
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 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine (CID 155221042) is 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine is C1=CC2OC3=CCCC=C3NC2CC1.
What is the InChIKey of 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is QFEYTIBDXJCPRT-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/h3,6-9,11,13H,1-2,4-5H2.
What are the key properties of 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine?
2,4a,7,8,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 189.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,7,8,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 155221042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).