9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione

C13H11N3O5 — CID 15145302

IUPAC9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione
SMILESCCn1c2ccc([N+](=O)[O-])cc2c2c(=O)n(C)c(=O)oc21
InChIInChI=1S/C13H11N3O5/c1-3-15-9-5-4-7(16(19)20)6-8(9)10-11(17)14(2)13(18)21-12(10)15/h4-6H,3H2,1-2H3
InChIKeyAKWBGESTZKJYJW-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.37
Rot. Bonds2

About 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione

9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione (PubChem CID 15145302) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione.

Molecular Properties

Compound Name9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione
PubChem CID15145302
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione
SMILESCCn1c2ccc([N+](=O)[O-])cc2c2c(=O)n(C)c(=O)oc21
InChIInChI=1S/C13H11N3O5/c1-3-15-9-5-4-7(16(19)20)6-8(9)10-11(17)14(2)13(18)21-12(10)15/h4-6H,3H2,1-2H3
InChIKeyAKWBGESTZKJYJW-UHFFFAOYSA-N
XLogP1.37
TPSA100.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(methylsulfanylmethyl)-6-nitroquinazoline-2,4-dione
CID 118658724
3,6-dinitro-9-[[(2R)-oxiran-2-yl]methyl]carbazole
CID 7038016
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
3-(diethylaminomethyl)-6-nitro-1,3-benzoxazol-2-one
CID 171981404
3-iodo-6-nitro-9-tetradecylcarbazole
CID 71348476
N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine
CID 58544932
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione
CID 15145308
1-ethyl-3,4-dimethoxy-7-nitroquinolin-2-one
CID 21217745
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
dimethyl 5-methyl-8-nitro-4-oxo-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate
CID 4980070

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione?
The IUPAC name of 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione (CID 15145302) is 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione.
What is the SMILES notation for 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione?
The canonical SMILES for 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione is CCn1c2ccc([N+](=O)[O-])cc2c2c(=O)n(C)c(=O)oc21.
What is the InChIKey of 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione?
The InChIKey is AKWBGESTZKJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-3-15-9-5-4-7(16(19)20)6-8(9)10-11(17)14(2)13(18)21-12(10)15/h4-6H,3H2,1-2H3.
What are the key properties of 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione?
9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione has a molecular weight of 289.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-methyl-6-nitro-[1,3]oxazino[6,5-b]indole-2,4-dione is sourced from PubChem (CID 15145302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).