ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate

C15H18N2O4 — CID 79482785

IUPACethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C15H18N2O4/c1-4-19-14(18)15(2,3)13-16-9-7-11-12(8-10(9)17-13)21-6-5-20-11/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyWXTBWNWIIZRDLV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.17
Rot. Bonds3

About ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate

ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate (PubChem CID 79482785) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate
PubChem CID79482785
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C15H18N2O4/c1-4-19-14(18)15(2,3)13-16-9-7-11-12(8-10(9)17-13)21-6-5-20-11/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyWXTBWNWIIZRDLV-UHFFFAOYSA-N
XLogP2.17
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 84632810
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79797944
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanamide
CID 82354702
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2-[6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl(methyl)amino]acetic acid
CID 82336736
2-methyl-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 18525449
2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 66477298
2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43168760
ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823093
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylamino)propanoic acid
CID 82562894
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate (CID 79482785) is ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate?
The InChIKey is WXTBWNWIIZRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-19-14(18)15(2,3)13-16-9-7-11-12(8-10(9)17-13)21-6-5-20-11/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate?
ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate has a molecular weight of 290.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 79482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).