3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane

C8H17N — CID 91030632

IUPAC3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane
SMILESCC.CC1=NCC(C)C1
InChIInChI=1S/C6H11N.C2H6/c1-5-3-6(2)7-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyWHOCZNZCJXUDME-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.51
Rot. Bonds

About 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane

3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane (PubChem CID 91030632) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane
PubChem CID91030632
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane
SMILESCC.CC1=NCC(C)C1
InChIInChI=1S/C6H11N.C2H6/c1-5-3-6(2)7-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyWHOCZNZCJXUDME-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
The IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane (CID 91030632) is 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
The canonical SMILES for 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane is CC.CC1=NCC(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
The InChIKey is WHOCZNZCJXUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-5-3-6(2)7-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane has a molecular weight of 127.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane is sourced from PubChem (CID 91030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).