3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole

C11H11NO — CID 123160793

IUPAC3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(-c2ccoc2)cc1=CC
InChIInChI=1S/C11H11NO/c1-3-9-6-11(12-8(9)2)10-4-5-13-7-10/h3-7,12H,2H2,1H3
InChIKeyKZKVTWHCKCDFSH-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.49
Rot. Bonds1

About 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole

3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole (PubChem CID 123160793) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole
PubChem CID123160793
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(-c2ccoc2)cc1=CC
InChIInChI=1S/C11H11NO/c1-3-9-6-11(12-8(9)2)10-4-5-13-7-10/h3-7,12H,2H2,1H3
InChIKeyKZKVTWHCKCDFSH-UHFFFAOYSA-N
XLogP1.49
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole?
The IUPAC name of 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole (CID 123160793) is 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole.
What is the SMILES notation for 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole?
The canonical SMILES for 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole is C=c1[nH]c(-c2ccoc2)cc1=CC.
What is the InChIKey of 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole?
The InChIKey is KZKVTWHCKCDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-9-6-11(12-8(9)2)10-4-5-13-7-10/h3-7,12H,2H2,1H3.
What are the key properties of 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole?
3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole has a molecular weight of 173.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole is sourced from PubChem (CID 123160793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).