4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol

C11H13NO2 — CID 84771858

IUPAC4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
SMILESNC1(c2c(O)ccc3c2COC3)CC1
InChIInChI=1S/C11H13NO2/c12-11(3-4-11)10-8-6-14-5-7(8)1-2-9(10)13/h1-2,13H,3-6,12H2
InChIKeyGSXYRLKWVUVZPN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds1

About 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol

4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol (PubChem CID 84771858) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
PubChem CID84771858
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
SMILESNC1(c2c(O)ccc3c2COC3)CC1
InChIInChI=1S/C11H13NO2/c12-11(3-4-11)10-8-6-14-5-7(8)1-2-9(10)13/h1-2,13H,3-6,12H2
InChIKeyGSXYRLKWVUVZPN-UHFFFAOYSA-N
XLogP1.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol?
The IUPAC name of 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol (CID 84771858) is 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol?
The canonical SMILES for 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol is NC1(c2c(O)ccc3c2COC3)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol?
The InChIKey is GSXYRLKWVUVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-11(3-4-11)10-8-6-14-5-7(8)1-2-9(10)13/h1-2,13H,3-6,12H2.
What are the key properties of 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol?
4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol has a molecular weight of 191.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol is sourced from PubChem (CID 84771858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).