10-ethynylphenoxazine

C14H9NO — CID 146199321

IUPAC10-ethynylphenoxazine
SMILESC#CN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H9NO/c1-2-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h1,3-10H
InChIKeyMXVJYCKZYRHPNN-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.52
Rot. Bonds

About 10-ethynylphenoxazine

10-ethynylphenoxazine (PubChem CID 146199321) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 10-ethynylphenoxazine.

Molecular Properties

Compound Name10-ethynylphenoxazine
PubChem CID146199321
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name10-ethynylphenoxazine
SMILESC#CN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H9NO/c1-2-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h1,3-10H
InChIKeyMXVJYCKZYRHPNN-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-bromophenoxazine
CID 141423355
10-iodophenoxazine
CID 89024147
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
ethane;10-phenylphenoxazine
CID 123756019
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine
CID 168759672
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
5-iodo-6H-benzo[b][1,4]benzoxazepine
CID 142383988
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
CID 169004810
N-methyl-1-phenoxazin-10-ylethanimine
CID 22754293
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452

Frequently Asked Questions

What is the IUPAC name of 10-ethynylphenoxazine?
The IUPAC name of 10-ethynylphenoxazine (CID 146199321) is 10-ethynylphenoxazine.
What is the SMILES notation for 10-ethynylphenoxazine?
The canonical SMILES for 10-ethynylphenoxazine is C#CN1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-ethynylphenoxazine?
The InChIKey is MXVJYCKZYRHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c1-2-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h1,3-10H.
What are the key properties of 10-ethynylphenoxazine?
10-ethynylphenoxazine has a molecular weight of 207.23 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethynylphenoxazine is sourced from PubChem (CID 146199321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).