2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol

C9H13N3O3 — CID 69288106

IUPAC2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol
SMILESCOc1c(N)oc2cc(NCCO)[nH]c12
InChIInChI=1S/C9H13N3O3/c1-14-8-7-5(15-9(8)10)4-6(12-7)11-2-3-13/h4,11-13H,2-3,10H2,1H3
InChIKeyWHGMZSJXGRUKNY-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.76
Rot. Bonds4

About 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol

2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol (PubChem CID 69288106) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol
PubChem CID69288106
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol
SMILESCOc1c(N)oc2cc(NCCO)[nH]c12
InChIInChI=1S/C9H13N3O3/c1-14-8-7-5(15-9(8)10)4-6(12-7)11-2-3-13/h4,11-13H,2-3,10H2,1H3
InChIKeyWHGMZSJXGRUKNY-UHFFFAOYSA-N
XLogP0.76
TPSA96.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol?
The IUPAC name of 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol (CID 69288106) is 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol is COc1c(N)oc2cc(NCCO)[nH]c12.
What is the InChIKey of 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol?
The InChIKey is WHGMZSJXGRUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-8-7-5(15-9(8)10)4-6(12-7)11-2-3-13/h4,11-13H,2-3,10H2,1H3.
What are the key properties of 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol?
2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol has a molecular weight of 211.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxy-4H-furo[3,2-b]pyrrol-5-yl)amino]ethanol is sourced from PubChem (CID 69288106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).