2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol

C9H13N3O2 — CID 69463244

IUPAC2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol
SMILESCOn1ccc2c(N)cn(CCO)c21
InChIInChI=1S/C9H13N3O2/c1-14-12-3-2-7-8(10)6-11(4-5-13)9(7)12/h2-3,6,13H,4-5,10H2,1H3
InChIKeyOHIHNFFSZBNXLS-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.08
Rot. Bonds3

About 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol

2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol (PubChem CID 69463244) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol
PubChem CID69463244
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol
SMILESCOn1ccc2c(N)cn(CCO)c21
InChIInChI=1S/C9H13N3O2/c1-14-12-3-2-7-8(10)6-11(4-5-13)9(7)12/h2-3,6,13H,4-5,10H2,1H3
InChIKeyOHIHNFFSZBNXLS-UHFFFAOYSA-N
XLogP0.08
TPSA65.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,7-dimethylindol-1-yl)ethanol
CID 83944885
4-amino-1-ethoxyindol-7-ol
CID 69254870
methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
CID 83827100
2-[(2E)-2-hydrazinylidene-4-methoxy-1-pyridinyl]ethanol
CID 45091318
2-(2-hydroxyethyl)-5,7-dimethoxyisoquinolin-1-one
CID 12751556
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
1-ethoxypyrrole-2,3-diamine
CID 55284781
2-(2-hydroxyethyl)-5-methylisoquinolin-1-one
CID 58270417
2-(4-bromoindol-1-yl)ethanol
CID 66827454
2-(5-aminoindol-1-yl)ethanol
CID 43165354
2-[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]ethanol
CID 82560023

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol?
The IUPAC name of 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol (CID 69463244) is 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol.
What is the SMILES notation for 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol?
The canonical SMILES for 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol is COn1ccc2c(N)cn(CCO)c21.
What is the InChIKey of 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol?
The InChIKey is OHIHNFFSZBNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-12-3-2-7-8(10)6-11(4-5-13)9(7)12/h2-3,6,13H,4-5,10H2,1H3.
What are the key properties of 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol?
2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol has a molecular weight of 195.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methoxypyrrolo[2,3-b]pyrrol-6-yl)ethanol is sourced from PubChem (CID 69463244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).