10-ethylphenoxazine-3,7-dicarbonitrile

C16H11N3O — CID 102137564

IUPAC10-ethylphenoxazine-3,7-dicarbonitrile
SMILESCCN1c2ccc(C#N)cc2Oc2cc(C#N)ccc21
InChIInChI=1S/C16H11N3O/c1-2-19-13-5-3-11(9-17)7-15(13)20-16-8-12(10-18)4-6-14(16)19/h3-8H,2H2,1H3
InChIKeyQQCPYGHWSOCPKV-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.69
Rot. Bonds1

About 10-ethylphenoxazine-3,7-dicarbonitrile

10-ethylphenoxazine-3,7-dicarbonitrile (PubChem CID 102137564) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 10-ethylphenoxazine-3,7-dicarbonitrile.

Molecular Properties

Compound Name10-ethylphenoxazine-3,7-dicarbonitrile
PubChem CID102137564
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name10-ethylphenoxazine-3,7-dicarbonitrile
SMILESCCN1c2ccc(C#N)cc2Oc2cc(C#N)ccc21
InChIInChI=1S/C16H11N3O/c1-2-19-13-5-3-11(9-17)7-15(13)20-16-8-12(10-18)4-6-14(16)19/h3-8H,2H2,1H3
InChIKeyQQCPYGHWSOCPKV-UHFFFAOYSA-N
XLogP3.69
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Related Compounds

10-ethylphenothiazine-3,7-dicarbonitrile
CID 102137562
1-ethyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007192
2-chloro-1,3-diethyl-2H-benzimidazole-5-carbonitrile
CID 67082036
7,8-dimethyldibenzo-p-dioxin-2-carbonitrile
CID 101091913
4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007059
benzo[b][1]benzoxepine-3,8-dicarbonitrile
CID 13158315
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(4-ethylpiperazin-1-yl)-3-methylbenzonitrile
CID 54934181
1-butyl-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 83644029
2-fluoro-1,3-benzodioxole-5-carbonitrile
CID 150465599
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
9-methyldibenzo-p-dioxin-2-carbonitrile
CID 101091919

Frequently Asked Questions

What is the IUPAC name of 10-ethylphenoxazine-3,7-dicarbonitrile?
The IUPAC name of 10-ethylphenoxazine-3,7-dicarbonitrile (CID 102137564) is 10-ethylphenoxazine-3,7-dicarbonitrile.
What is the SMILES notation for 10-ethylphenoxazine-3,7-dicarbonitrile?
The canonical SMILES for 10-ethylphenoxazine-3,7-dicarbonitrile is CCN1c2ccc(C#N)cc2Oc2cc(C#N)ccc21.
What is the InChIKey of 10-ethylphenoxazine-3,7-dicarbonitrile?
The InChIKey is QQCPYGHWSOCPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-19-13-5-3-11(9-17)7-15(13)20-16-8-12(10-18)4-6-14(16)19/h3-8H,2H2,1H3.
What are the key properties of 10-ethylphenoxazine-3,7-dicarbonitrile?
10-ethylphenoxazine-3,7-dicarbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylphenoxazine-3,7-dicarbonitrile is sourced from PubChem (CID 102137564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).