8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran

C15H11NO4 — CID 117426059

IUPAC8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran
SMILESCOc1c2ccoc2c(C2(N=C=O)CC2)c2ccoc12
InChIInChI=1S/C15H11NO4/c1-18-13-10-3-7-19-12(10)11(9-2-6-20-14(9)13)15(4-5-15)16-8-17/h2-3,6-7H,4-5H2,1H3
InChIKeyMUCNTYLXTYSPHJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.51
Rot. Bonds3

About 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran

8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran (PubChem CID 117426059) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran.

Molecular Properties

Compound Name8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran
PubChem CID117426059
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran
SMILESCOc1c2ccoc2c(C2(N=C=O)CC2)c2ccoc12
InChIInChI=1S/C15H11NO4/c1-18-13-10-3-7-19-12(10)11(9-2-6-20-14(9)13)15(4-5-15)16-8-17/h2-3,6-7H,4-5H2,1H3
InChIKeyMUCNTYLXTYSPHJ-UHFFFAOYSA-N
XLogP3.51
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

4,6-difluoro-7-(1-isocyanatocyclopentyl)-1-benzofuran
CID 117411918
2-(1-isocyanatocyclopropyl)-1,3-dimethoxybenzene
CID 117312016
6-fluoro-7-(1-isocyanatocyclopropyl)-1-benzofuran
CID 117308906
2-(1-isocyanatocyclopentyl)-3-methoxy-1,4-di(propan-2-yl)benzene
CID 117485718
4-chloro-3-(1-isocyanatocyclopropyl)-2-methoxyphenol
CID 117351780
4-(1-isocyanatocyclopropyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 117370441
2-(1-isocyanatocyclobutyl)-1,4-dimethoxy-3-methylsulfanylbenzene
CID 117448038
1-fluoro-3-(1-isocyanatocyclopropyl)-4,5-dimethoxy-2,6-dimethylbenzene
CID 117416864
2-(1-isocyanatocyclobutyl)-3-methoxy-6-methylphenol
CID 117337958
4-bromo-3-(1-isocyanatocyclopropyl)-1,2-dimethoxy-5-methylbenzene
CID 117496752
1-fluoro-4-(1-isocyanatocyclopentyl)-2,3-dimethoxy-5-methylbenzene
CID 117447718
1-ethyl-3-(1-isocyanatocyclobutyl)-2-methoxybenzene
CID 117334412

Frequently Asked Questions

What is the IUPAC name of 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran?
The IUPAC name of 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran (CID 117426059) is 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran.
What is the SMILES notation for 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran?
The canonical SMILES for 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran is COc1c2ccoc2c(C2(N=C=O)CC2)c2ccoc12.
What is the InChIKey of 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran?
The InChIKey is MUCNTYLXTYSPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-18-13-10-3-7-19-12(10)11(9-2-6-20-14(9)13)15(4-5-15)16-8-17/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran?
8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran has a molecular weight of 269.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran is sourced from PubChem (CID 117426059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).