4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile

C11H10N2O — CID 10679114

IUPAC4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile
SMILESCc1oc(-n2cccc2)c(C#N)c1C
InChIInChI=1S/C11H10N2O/c1-8-9(2)14-11(10(8)7-12)13-5-3-4-6-13/h3-6H,1-2H3
InChIKeyHIEUTYAOMXDJQD-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.56
Rot. Bonds1

About 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile

4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile (PubChem CID 10679114) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile
PubChem CID10679114
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile
SMILESCc1oc(-n2cccc2)c(C#N)c1C
InChIInChI=1S/C11H10N2O/c1-8-9(2)14-11(10(8)7-12)13-5-3-4-6-13/h3-6H,1-2H3
InChIKeyHIEUTYAOMXDJQD-UHFFFAOYSA-N
XLogP2.56
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The IUPAC name of 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile (CID 10679114) is 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile.
What is the SMILES notation for 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The canonical SMILES for 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile is Cc1oc(-n2cccc2)c(C#N)c1C.
What is the InChIKey of 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The InChIKey is HIEUTYAOMXDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-9(2)14-11(10(8)7-12)13-5-3-4-6-13/h3-6H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile?
4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrrol-1-ylfuran-3-carbonitrile is sourced from PubChem (CID 10679114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).