3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole

C10H11NO — CID 55297595

IUPAC3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole
SMILESCc1ccc(Cc2cc[nH]c2)o1
InChIInChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3
InChIKeyWKJYTIFWOMZIGZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.51
Rot. Bonds2

About 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole

3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole (PubChem CID 55297595) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole
PubChem CID55297595
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole
SMILESCc1ccc(Cc2cc[nH]c2)o1
InChIInChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3
InChIKeyWKJYTIFWOMZIGZ-UHFFFAOYSA-N
XLogP2.51
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole (CID 55297595) is 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole is Cc1ccc(Cc2cc[nH]c2)o1.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole?
The InChIKey is WKJYTIFWOMZIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole?
3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole has a molecular weight of 161.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 55297595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).