5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole

C10H11NO — CID 89142714

IUPAC5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole
SMILESCC1=CC(c2ccco2)=NC1C
InChIInChI=1S/C10H11NO/c1-7-6-9(11-8(7)2)10-4-3-5-12-10/h3-6,8H,1-2H3
InChIKeyKOQJQKDOSIQNJW-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.42
Rot. Bonds1

About 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole

5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole (PubChem CID 89142714) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole
PubChem CID89142714
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole
SMILESCC1=CC(c2ccco2)=NC1C
InChIInChI=1S/C10H11NO/c1-7-6-9(11-8(7)2)10-4-3-5-12-10/h3-6,8H,1-2H3
InChIKeyKOQJQKDOSIQNJW-UHFFFAOYSA-N
XLogP2.42
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole?
The IUPAC name of 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole (CID 89142714) is 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole.
What is the SMILES notation for 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole?
The canonical SMILES for 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole is CC1=CC(c2ccco2)=NC1C.
What is the InChIKey of 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole?
The InChIKey is KOQJQKDOSIQNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-6-9(11-8(7)2)10-4-3-5-12-10/h3-6,8H,1-2H3.
What are the key properties of 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole?
5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole has a molecular weight of 161.20 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2,3-dimethyl-2H-pyrrole is sourced from PubChem (CID 89142714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).