ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate

C20H19NO3 — CID 162377128

IUPACethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate
SMILESCCOC(=O)C1N=C1CCCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H19NO3/c1-2-23-20(22)19-16(21-19)8-5-6-13-10-11-18-15(12-13)14-7-3-4-9-17(14)24-18/h3-4,7,9-12,19H,2,5-6,8H2,1H3
InChIKeySZZPSNRSZDLKKL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.30
Rot. Bonds6

About ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate

ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate (PubChem CID 162377128) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate
PubChem CID162377128
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate
SMILESCCOC(=O)C1N=C1CCCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H19NO3/c1-2-23-20(22)19-16(21-19)8-5-6-13-10-11-18-15(12-13)14-7-3-4-9-17(14)24-18/h3-4,7,9-12,19H,2,5-6,8H2,1H3
InChIKeySZZPSNRSZDLKKL-UHFFFAOYSA-N
XLogP4.30
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
3-dibenzofuran-2-ylpropanoic acid
CID 2728916
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721
2-dibenzofuran-2-ylethanol
CID 567048
diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
CID 163791926
ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate
CID 177468508
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
9-butylbenzo[c]chromen-6-one
CID 102375140
propyl 3-[2-(4-methylphenyl)ethyl]-2H-azirine-2-carboxylate
CID 170045704
2-dodecylxanthene-9-thione
CID 57217776
3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine
CID 59411998

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate?
The IUPAC name of ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate (CID 162377128) is ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate?
The canonical SMILES for ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate is CCOC(=O)C1N=C1CCCc1ccc2oc3ccccc3c2c1.
What is the InChIKey of ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate?
The InChIKey is SZZPSNRSZDLKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-23-20(22)19-16(21-19)8-5-6-13-10-11-18-15(12-13)14-7-3-4-9-17(14)24-18/h3-4,7,9-12,19H,2,5-6,8H2,1H3.
What are the key properties of ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate?
ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate is sourced from PubChem (CID 162377128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).