8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

C13H15NO3 — CID 117337902

IUPAC8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNC1(c2c3c(c(O)c4c2OCC4)OCC3)CC1
InChIInChI=1S/C13H15NO3/c14-13(3-4-13)9-7-1-5-17-12(7)10(15)8-2-6-16-11(8)9/h15H,1-6,14H2
InChIKeySDWMNRLBIQGTMF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.21
Rot. Bonds1

About 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117337902) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117337902
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNC1(c2c3c(c(O)c4c2OCC4)OCC3)CC1
InChIInChI=1S/C13H15NO3/c14-13(3-4-13)9-7-1-5-17-12(7)10(15)8-2-6-16-11(8)9/h15H,1-6,14H2
InChIKeySDWMNRLBIQGTMF-UHFFFAOYSA-N
XLogP1.21
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117337902) is 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is NC1(c2c3c(c(O)c4c2OCC4)OCC3)CC1.
What is the InChIKey of 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is SDWMNRLBIQGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c14-13(3-4-13)9-7-1-5-17-12(7)10(15)8-2-6-16-11(8)9/h15H,1-6,14H2.
What are the key properties of 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 233.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminocyclopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117337902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).