diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate

C21H21NO5 — CID 102285038

IUPACdiethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate
SMILESC=C=C1c2ccccc2C(Nc2ccco2)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C21H21NO5/c1-4-16-14-10-7-8-11-15(14)18(22-17-12-9-13-27-17)21(16,19(23)25-5-2)20(24)26-6-3/h7-13,18,22H,1,5-6H2,2-3H3
InChIKeyGOAAVSABTODVFV-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.73
Rot. Bonds6

About diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate

diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate (PubChem CID 102285038) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate
PubChem CID102285038
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Namediethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate
SMILESC=C=C1c2ccccc2C(Nc2ccco2)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C21H21NO5/c1-4-16-14-10-7-8-11-15(14)18(22-17-12-9-13-27-17)21(16,19(23)25-5-2)20(24)26-6-3/h7-13,18,22H,1,5-6H2,2-3H3
InChIKeyGOAAVSABTODVFV-UHFFFAOYSA-N
XLogP3.73
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 1-(benzylamino)-3-ethenylidene-1H-indene-2,2-dicarboxylate
CID 102285037
diethyl (1R)-3-methylidene-1-(nitromethyl)-1H-indene-2,2-dicarboxylate
CID 132501368
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
CID 105438633
ethyl 3-(furan-2-yl)-2-methyloxirane-2-carboxylate
CID 13177121
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
CID 75488005
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
ethyl 3-(furan-2-ylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644719
ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate
CID 10335542
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
diethyl 3-methylidene-2-octyl-2H-indene-1,1-dicarboxylate
CID 10407837

Frequently Asked Questions

What is the IUPAC name of diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate?
The IUPAC name of diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate (CID 102285038) is diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate.
What is the SMILES notation for diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate?
The canonical SMILES for diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate is C=C=C1c2ccccc2C(Nc2ccco2)C1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate?
The InChIKey is GOAAVSABTODVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-16-14-10-7-8-11-15(14)18(22-17-12-9-13-27-17)21(16,19(23)25-5-2)20(24)26-6-3/h7-13,18,22H,1,5-6H2,2-3H3.
What are the key properties of diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate?
diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate has a molecular weight of 367.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-ethenylidene-1-(furan-2-ylamino)-1H-indene-2,2-dicarboxylate is sourced from PubChem (CID 102285038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).