1-cyclobutyl-2-methyl-10H-phenoxazine

C17H17NO — CID 91801399

IUPAC1-cyclobutyl-2-methyl-10H-phenoxazine
SMILESCc1ccc2c(c1C1CCC1)Nc1ccccc1O2
InChIInChI=1S/C17H17NO/c1-11-9-10-15-17(16(11)12-5-4-6-12)18-13-7-2-3-8-14(13)19-15/h2-3,7-10,12,18H,4-6H2,1H3
InChIKeySDBWRPJMMLEHBF-UHFFFAOYSA-N
MW251.33 g/mol
LogP5.11
Rot. Bonds1

About 1-cyclobutyl-2-methyl-10H-phenoxazine

1-cyclobutyl-2-methyl-10H-phenoxazine (PubChem CID 91801399) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-10H-phenoxazine.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-10H-phenoxazine
PubChem CID91801399
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-cyclobutyl-2-methyl-10H-phenoxazine
SMILESCc1ccc2c(c1C1CCC1)Nc1ccccc1O2
InChIInChI=1S/C17H17NO/c1-11-9-10-15-17(16(11)12-5-4-6-12)18-13-7-2-3-8-14(13)19-15/h2-3,7-10,12,18H,4-6H2,1H3
InChIKeySDBWRPJMMLEHBF-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-10H-phenoxazine?
The IUPAC name of 1-cyclobutyl-2-methyl-10H-phenoxazine (CID 91801399) is 1-cyclobutyl-2-methyl-10H-phenoxazine.
What is the SMILES notation for 1-cyclobutyl-2-methyl-10H-phenoxazine?
The canonical SMILES for 1-cyclobutyl-2-methyl-10H-phenoxazine is Cc1ccc2c(c1C1CCC1)Nc1ccccc1O2.
What is the InChIKey of 1-cyclobutyl-2-methyl-10H-phenoxazine?
The InChIKey is SDBWRPJMMLEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-9-10-15-17(16(11)12-5-4-6-12)18-13-7-2-3-8-14(13)19-15/h2-3,7-10,12,18H,4-6H2,1H3.
What are the key properties of 1-cyclobutyl-2-methyl-10H-phenoxazine?
1-cyclobutyl-2-methyl-10H-phenoxazine has a molecular weight of 251.33 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-10H-phenoxazine is sourced from PubChem (CID 91801399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).