1-(furan-2-ylmethyl)-2,5-dimethylpyrrole

C11H13NO — CID 2378281

IUPAC1-(furan-2-ylmethyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1Cc1ccco1
InChIInChI=1S/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3
InChIKeyGHUVRTIRHVRLRU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.75
Rot. Bonds2

About 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole

1-(furan-2-ylmethyl)-2,5-dimethylpyrrole (PubChem CID 2378281) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethylpyrrole
PubChem CID2378281
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1Cc1ccco1
InChIInChI=1S/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3
InChIKeyGHUVRTIRHVRLRU-UHFFFAOYSA-N
XLogP2.75
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole (CID 2378281) is 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole is Cc1ccc(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole?
The InChIKey is GHUVRTIRHVRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole?
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole has a molecular weight of 175.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 2378281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).