2-(furan-2-yl)-4-methyl-1H-pyrrole

C9H9NO — CID 122219547

IUPAC2-(furan-2-yl)-4-methyl-1H-pyrrole
SMILESCc1c[nH]c(-c2ccco2)c1
InChIInChI=1S/C9H9NO/c1-7-5-8(10-6-7)9-3-2-4-11-9/h2-6,10H,1H3
InChIKeyGUBMDGGOTWQOSJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.58
Rot. Bonds1

About 2-(furan-2-yl)-4-methyl-1H-pyrrole

2-(furan-2-yl)-4-methyl-1H-pyrrole (PubChem CID 122219547) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-1H-pyrrole
PubChem CID122219547
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(furan-2-yl)-4-methyl-1H-pyrrole
SMILESCc1c[nH]c(-c2ccco2)c1
InChIInChI=1S/C9H9NO/c1-7-5-8(10-6-7)9-3-2-4-11-9/h2-6,10H,1H3
InChIKeyGUBMDGGOTWQOSJ-UHFFFAOYSA-N
XLogP2.58
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-1H-pyrrole?
The IUPAC name of 2-(furan-2-yl)-4-methyl-1H-pyrrole (CID 122219547) is 2-(furan-2-yl)-4-methyl-1H-pyrrole.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-1H-pyrrole?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-1H-pyrrole is Cc1c[nH]c(-c2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-1H-pyrrole?
The InChIKey is GUBMDGGOTWQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-5-8(10-6-7)9-3-2-4-11-9/h2-6,10H,1H3.
What are the key properties of 2-(furan-2-yl)-4-methyl-1H-pyrrole?
2-(furan-2-yl)-4-methyl-1H-pyrrole has a molecular weight of 147.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-1H-pyrrole is sourced from PubChem (CID 122219547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).