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

C8H15N — CID 143379550

IUPAC3,5-dimethyl-2H-pyrrole;ethane
SMILESCC.CC1=CC(C)=NC1
InChIInChI=1S/C6H9N.C2H6/c1-5-3-6(2)7-4-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyJHSGITWNGBPDNW-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds

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

3,5-dimethyl-2H-pyrrole;ethane (PubChem CID 143379550) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3,5-dimethyl-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-2H-pyrrole;ethane
PubChem CID143379550
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3,5-dimethyl-2H-pyrrole;ethane
SMILESCC.CC1=CC(C)=NC1
InChIInChI=1S/C6H9N.C2H6/c1-5-3-6(2)7-4-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyJHSGITWNGBPDNW-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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Related Compounds

2,2,3,5-tetramethyl-2H-pyrrole
CID 14342946
5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
CID 21811124
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
CID 138509508
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
5-(1-fluoroethyl)-4-methyl-2H-pyrrole
CID 160626280
(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine
CID 162561088
3-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 167682700
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
3,4,5-trimethyl-2H-pyrrole
CID 12554796

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-pyrrole;ethane?
The IUPAC name of 3,5-dimethyl-2H-pyrrole;ethane (CID 143379550) is 3,5-dimethyl-2H-pyrrole;ethane.
What is the SMILES notation for 3,5-dimethyl-2H-pyrrole;ethane?
The canonical SMILES for 3,5-dimethyl-2H-pyrrole;ethane is CC.CC1=CC(C)=NC1.
What is the InChIKey of 3,5-dimethyl-2H-pyrrole;ethane?
The InChIKey is JHSGITWNGBPDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-5-3-6(2)7-4-5;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-2H-pyrrole;ethane?
3,5-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 3,5-dimethyl-2H-pyrrole;ethane is sourced from PubChem (CID 143379550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).