ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate

C13H12ClNO4 — CID 12823093

IUPACethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3c(cc2c1Cl)OCCO3
InChIInChI=1S/C13H12ClNO4/c1-2-17-13(16)12-11(14)7-5-9-10(6-8(7)15-12)19-4-3-18-9/h5-6,15H,2-4H2,1H3
InChIKeyONUJZPLLPIDQSE-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.77
Rot. Bonds2

About ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate

ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate (PubChem CID 12823093) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
PubChem CID12823093
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Nameethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3c(cc2c1Cl)OCCO3
InChIInChI=1S/C13H12ClNO4/c1-2-17-13(16)12-11(14)7-5-9-10(6-8(7)15-12)19-4-3-18-9/h5-6,15H,2-4H2,1H3
InChIKeyONUJZPLLPIDQSE-UHFFFAOYSA-N
XLogP2.77
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate with MolForge

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Related Compounds

ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823090
ethyl 6-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 164958293
ethyl 7-[[2-(3,5-dimethylpiperidin-1-yl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
CID 661694
1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one
CID 82497834
ethyl 6-chloro-3-propanoyl-1H-indole-2-carboxylate
CID 122192007
diethyl 3-chloro-1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130338818
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
ethyl 9-amino-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-10-carboxylate
CID 138478950
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
CID 82491733
ethyl 4,6-dichloro-3-(1,3-dioxolan-2-yl)-1H-indole-2-carboxylate
CID 170874265
ethyl 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropanoate
CID 79482785

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
The IUPAC name of ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate (CID 12823093) is ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate.
What is the SMILES notation for ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
The canonical SMILES for ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate is CCOC(=O)c1[nH]c2cc3c(cc2c1Cl)OCCO3.
What is the InChIKey of ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
The InChIKey is ONUJZPLLPIDQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-2-17-13(16)12-11(14)7-5-9-10(6-8(7)15-12)19-4-3-18-9/h5-6,15H,2-4H2,1H3.
What are the key properties of ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate?
ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate has a molecular weight of 281.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate is sourced from PubChem (CID 12823093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).