1-pentan-2-yl-10H-phenoxazine

C17H19NO — CID 173176644

IUPAC1-pentan-2-yl-10H-phenoxazine
SMILESCCCC(C)c1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C17H19NO/c1-3-7-12(2)13-8-6-11-16-17(13)18-14-9-4-5-10-15(14)19-16/h4-6,8-12,18H,3,7H2,1-2H3
InChIKeyAUFGZYZCTYAGRJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP5.44
Rot. Bonds3

About 1-pentan-2-yl-10H-phenoxazine

1-pentan-2-yl-10H-phenoxazine (PubChem CID 173176644) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-pentan-2-yl-10H-phenoxazine.

Molecular Properties

Compound Name1-pentan-2-yl-10H-phenoxazine
PubChem CID173176644
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-pentan-2-yl-10H-phenoxazine
SMILESCCCC(C)c1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C17H19NO/c1-3-7-12(2)13-8-6-11-16-17(13)18-14-9-4-5-10-15(14)19-16/h4-6,8-12,18H,3,7H2,1-2H3
InChIKeyAUFGZYZCTYAGRJ-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.35
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-10H-phenoxazine?
The IUPAC name of 1-pentan-2-yl-10H-phenoxazine (CID 173176644) is 1-pentan-2-yl-10H-phenoxazine.
What is the SMILES notation for 1-pentan-2-yl-10H-phenoxazine?
The canonical SMILES for 1-pentan-2-yl-10H-phenoxazine is CCCC(C)c1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 1-pentan-2-yl-10H-phenoxazine?
The InChIKey is AUFGZYZCTYAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-12(2)13-8-6-11-16-17(13)18-14-9-4-5-10-15(14)19-16/h4-6,8-12,18H,3,7H2,1-2H3.
What are the key properties of 1-pentan-2-yl-10H-phenoxazine?
1-pentan-2-yl-10H-phenoxazine has a molecular weight of 253.35 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-10H-phenoxazine is sourced from PubChem (CID 173176644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).