2,3-dimethylidene-1H-pyrrole;ethane

C8H13N — CID 145117816

IUPAC2,3-dimethylidene-1H-pyrrole;ethane
SMILESC=c1cc[nH]c1=C.CC
InChIInChI=1S/C6H7N.C2H6/c1-5-3-4-7-6(5)2;1-2/h3-4,7H,1-2H2;1-2H3
InChIKeyALKNPILIJOXNJI-UHFFFAOYSA-N
MW123.20 g/mol
LogP0.86
Rot. Bonds

About 2,3-dimethylidene-1H-pyrrole;ethane

2,3-dimethylidene-1H-pyrrole;ethane (PubChem CID 145117816) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3-dimethylidene-1H-pyrrole;ethane.

Molecular Properties

Compound Name2,3-dimethylidene-1H-pyrrole;ethane
PubChem CID145117816
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3-dimethylidene-1H-pyrrole;ethane
SMILESC=c1cc[nH]c1=C.CC
InChIInChI=1S/C6H7N.C2H6/c1-5-3-4-7-6(5)2;1-2/h3-4,7H,1-2H2;1-2H3
InChIKeyALKNPILIJOXNJI-UHFFFAOYSA-N
XLogP0.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-1H-pyrrole;ethane?
The IUPAC name of 2,3-dimethylidene-1H-pyrrole;ethane (CID 145117816) is 2,3-dimethylidene-1H-pyrrole;ethane.
What is the SMILES notation for 2,3-dimethylidene-1H-pyrrole;ethane?
The canonical SMILES for 2,3-dimethylidene-1H-pyrrole;ethane is C=c1cc[nH]c1=C.CC.
What is the InChIKey of 2,3-dimethylidene-1H-pyrrole;ethane?
The InChIKey is ALKNPILIJOXNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H6/c1-5-3-4-7-6(5)2;1-2/h3-4,7H,1-2H2;1-2H3.
What are the key properties of 2,3-dimethylidene-1H-pyrrole;ethane?
2,3-dimethylidene-1H-pyrrole;ethane has a molecular weight of 123.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-1H-pyrrole;ethane is sourced from PubChem (CID 145117816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).