5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile

C10H8N2O — CID 100793852

IUPAC5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(Cc2ccco2)[nH]1
InChIInChI=1S/C10H8N2O/c11-7-9-4-3-8(12-9)6-10-2-1-5-13-10/h1-5,12H,6H2
InChIKeyHNBYTRFECOAJGL-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.07
Rot. Bonds2

About 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile

5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile (PubChem CID 100793852) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile
PubChem CID100793852
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(Cc2ccco2)[nH]1
InChIInChI=1S/C10H8N2O/c11-7-9-4-3-8(12-9)6-10-2-1-5-13-10/h1-5,12H,6H2
InChIKeyHNBYTRFECOAJGL-UHFFFAOYSA-N
XLogP2.07
TPSA52.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile (CID 100793852) is 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile is N#Cc1ccc(Cc2ccco2)[nH]1.
What is the InChIKey of 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile?
The InChIKey is HNBYTRFECOAJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-9-4-3-8(12-9)6-10-2-1-5-13-10/h1-5,12H,6H2.
What are the key properties of 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile?
5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 100793852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).