2,5-dimethyl-3H-pyrrole;ethane

C8H15N — CID 91053925

IUPAC2,5-dimethyl-3H-pyrrole;ethane
SMILESCC.CC1=CCC(C)=N1
InChIInChI=1S/C6H9N.C2H6/c1-5-3-4-6(2)7-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyWTJGEMFXKJSADG-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds

About 2,5-dimethyl-3H-pyrrole;ethane

2,5-dimethyl-3H-pyrrole;ethane (PubChem CID 91053925) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,5-dimethyl-3H-pyrrole;ethane.

Molecular Properties

Compound Name2,5-dimethyl-3H-pyrrole;ethane
PubChem CID91053925
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,5-dimethyl-3H-pyrrole;ethane
SMILESCC.CC1=CCC(C)=N1
InChIInChI=1S/C6H9N.C2H6/c1-5-3-4-6(2)7-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyWTJGEMFXKJSADG-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3H-pyrrole;ethane?
The IUPAC name of 2,5-dimethyl-3H-pyrrole;ethane (CID 91053925) is 2,5-dimethyl-3H-pyrrole;ethane.
What is the SMILES notation for 2,5-dimethyl-3H-pyrrole;ethane?
The canonical SMILES for 2,5-dimethyl-3H-pyrrole;ethane is CC.CC1=CCC(C)=N1.
What is the InChIKey of 2,5-dimethyl-3H-pyrrole;ethane?
The InChIKey is WTJGEMFXKJSADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-5-3-4-6(2)7-5;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-3H-pyrrole;ethane?
2,5-dimethyl-3H-pyrrole;ethane has a molecular weight of 125.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3H-pyrrole;ethane is sourced from PubChem (CID 91053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).