2-(furan-2-yl)-3-methyl-1H-pyrrole

C9H9NO — CID 11263571

IUPAC2-(furan-2-yl)-3-methyl-1H-pyrrole
SMILESCc1cc[nH]c1-c1ccco1
InChIInChI=1S/C9H9NO/c1-7-4-5-10-9(7)8-3-2-6-11-8/h2-6,10H,1H3
InChIKeyJXBDLNHXGHLNTD-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.58
Rot. Bonds1

About 2-(furan-2-yl)-3-methyl-1H-pyrrole

2-(furan-2-yl)-3-methyl-1H-pyrrole (PubChem CID 11263571) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methyl-1H-pyrrole
PubChem CID11263571
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(furan-2-yl)-3-methyl-1H-pyrrole
SMILESCc1cc[nH]c1-c1ccco1
InChIInChI=1S/C9H9NO/c1-7-4-5-10-9(7)8-3-2-6-11-8/h2-6,10H,1H3
InChIKeyJXBDLNHXGHLNTD-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)-3-methyl-1H-pyrrole?
The IUPAC name of 2-(furan-2-yl)-3-methyl-1H-pyrrole (CID 11263571) is 2-(furan-2-yl)-3-methyl-1H-pyrrole.
What is the SMILES notation for 2-(furan-2-yl)-3-methyl-1H-pyrrole?
The canonical SMILES for 2-(furan-2-yl)-3-methyl-1H-pyrrole is Cc1cc[nH]c1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-methyl-1H-pyrrole?
The InChIKey is JXBDLNHXGHLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-4-5-10-9(7)8-3-2-6-11-8/h2-6,10H,1H3.
What are the key properties of 2-(furan-2-yl)-3-methyl-1H-pyrrole?
2-(furan-2-yl)-3-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)-3-methyl-1H-pyrrole is sourced from PubChem (CID 11263571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).