2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile

C8H9N3O — CID 58116952

IUPAC2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile
SMILESCN1Cc2oc(N)c(C#N)c2C1
InChIInChI=1S/C8H9N3O/c1-11-3-6-5(2-9)8(10)12-7(6)4-11/h3-4,10H2,1H3
InChIKeyQQUCEZZVFAQGKQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.68
Rot. Bonds

About 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile

2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile (PubChem CID 58116952) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile
PubChem CID58116952
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile
SMILESCN1Cc2oc(N)c(C#N)c2C1
InChIInChI=1S/C8H9N3O/c1-11-3-6-5(2-9)8(10)12-7(6)4-11/h3-4,10H2,1H3
InChIKeyQQUCEZZVFAQGKQ-UHFFFAOYSA-N
XLogP0.68
TPSA66.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile (CID 58116952) is 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile is CN1Cc2oc(N)c(C#N)c2C1.
What is the InChIKey of 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile?
The InChIKey is QQUCEZZVFAQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-3-6-5(2-9)8(10)12-7(6)4-11/h3-4,10H2,1H3.
What are the key properties of 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile?
2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-3-carbonitrile is sourced from PubChem (CID 58116952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).