3,4-dimethyl-2H-pyrrole;ethane

C8H15N — CID 90846196

IUPAC3,4-dimethyl-2H-pyrrole;ethane
SMILESCC.CC1=C(C)CN=C1
InChIInChI=1S/C6H9N.C2H6/c1-5-3-7-4-6(5)2;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyVGSHVBRBPMSHNM-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds

About 3,4-dimethyl-2H-pyrrole;ethane

3,4-dimethyl-2H-pyrrole;ethane (PubChem CID 90846196) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3,4-dimethyl-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,4-dimethyl-2H-pyrrole;ethane
PubChem CID90846196
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3,4-dimethyl-2H-pyrrole;ethane
SMILESCC.CC1=C(C)CN=C1
InChIInChI=1S/C6H9N.C2H6/c1-5-3-7-4-6(5)2;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyVGSHVBRBPMSHNM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2H-pyrrole;ethane?
The IUPAC name of 3,4-dimethyl-2H-pyrrole;ethane (CID 90846196) is 3,4-dimethyl-2H-pyrrole;ethane.
What is the SMILES notation for 3,4-dimethyl-2H-pyrrole;ethane?
The canonical SMILES for 3,4-dimethyl-2H-pyrrole;ethane is CC.CC1=C(C)CN=C1.
What is the InChIKey of 3,4-dimethyl-2H-pyrrole;ethane?
The InChIKey is VGSHVBRBPMSHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-5-3-7-4-6(5)2;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-2H-pyrrole;ethane?
3,4-dimethyl-2H-pyrrole;ethane has a molecular weight of 125.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2H-pyrrole;ethane is sourced from PubChem (CID 90846196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).