(8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate

C14H9NO5 — CID 67934671

IUPAC(8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate
SMILESCc1ccc2oc3c(OC(=O)O)c(=O)ccc-3nc2c1
InChIInChI=1S/C14H9NO5/c1-7-2-5-11-9(6-7)15-8-3-4-10(16)13(12(8)19-11)20-14(17)18/h2-6H,1H3,(H,17,18)
InChIKeyNQRCKYFHJAZKCI-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.66
Rot. Bonds1

About (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate

(8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate (PubChem CID 67934671) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate
PubChem CID67934671
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name(8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate
SMILESCc1ccc2oc3c(OC(=O)O)c(=O)ccc-3nc2c1
InChIInChI=1S/C14H9NO5/c1-7-2-5-11-9(6-7)15-8-3-4-10(16)13(12(8)19-11)20-14(17)18/h2-6H,1H3,(H,17,18)
InChIKeyNQRCKYFHJAZKCI-UHFFFAOYSA-N
XLogP2.66
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
CID 82598754
3-amino-2-(5-methyl-1,3-benzoxazol-2-yl)-3-oxopropanoic acid
CID 57017901
2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83841395
3-(5-methyl-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 131333880
3-(2,4-dimethylphenyl)-2-(6-methyl-2-oxo-1,4-benzoxazin-3-yl)-3-oxopropanoic acid
CID 90952398
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
7-methyl-2-oxochromene-4-carboxylic acid
CID 12820478
2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 81085051
ethyl N-[(5-methyl-1,3-benzoxazole-2-carbonyl)amino]carbamate
CID 13447629
3,6-dimethyl-2-(5-methyl-1,3-benzoxazol-2-yl)benzoic acid
CID 103430680
4-amino-3-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-4-oxobutanoic acid
CID 56973999
4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
CID 175214662

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate?
The IUPAC name of (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate (CID 67934671) is (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate.
What is the SMILES notation for (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate?
The canonical SMILES for (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate is Cc1ccc2oc3c(OC(=O)O)c(=O)ccc-3nc2c1.
What is the InChIKey of (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate?
The InChIKey is NQRCKYFHJAZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c1-7-2-5-11-9(6-7)15-8-3-4-10(16)13(12(8)19-11)20-14(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate?
(8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate has a molecular weight of 271.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3-oxophenoxazin-4-yl) hydrogen carbonate is sourced from PubChem (CID 67934671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).