ethane;2,4,5-trimethyl-3H-pyrrole

C9H17N — CID 142136082

IUPACethane;2,4,5-trimethyl-3H-pyrrole
SMILESCC.CC1=NC(C)=C(C)C1
InChIInChI=1S/C7H11N.C2H6/c1-5-4-6(2)8-7(5)3;1-2/h4H2,1-3H3;1-2H3
InChIKeyAPPUFOVDJNBRPI-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds

About ethane;2,4,5-trimethyl-3H-pyrrole

ethane;2,4,5-trimethyl-3H-pyrrole (PubChem CID 142136082) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;2,4,5-trimethyl-3H-pyrrole.

Molecular Properties

Compound Nameethane;2,4,5-trimethyl-3H-pyrrole
PubChem CID142136082
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;2,4,5-trimethyl-3H-pyrrole
SMILESCC.CC1=NC(C)=C(C)C1
InChIInChI=1S/C7H11N.C2H6/c1-5-4-6(2)8-7(5)3;1-2/h4H2,1-3H3;1-2H3
InChIKeyAPPUFOVDJNBRPI-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2,4,5-trimethyl-3H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
CID 89393939
2,3,3,4,5-Pentamethylpyrrole
CID 301930
2H-Pyrrole, 3,4-dihydro-4,4,5-trimethyl-2-(1-methylethylidene)-
CID 5325603
2,4,5-trimethyl-3H-pyrrole
CID 9793719
1,2,3,4,5-pentamethyl-3H-pyrrol-1-ium
CID 20667180
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
CID 23542589
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2,3,4-Triethylazete
CID 57185997

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-trimethyl-3H-pyrrole?
The IUPAC name of ethane;2,4,5-trimethyl-3H-pyrrole (CID 142136082) is ethane;2,4,5-trimethyl-3H-pyrrole.
What is the SMILES notation for ethane;2,4,5-trimethyl-3H-pyrrole?
The canonical SMILES for ethane;2,4,5-trimethyl-3H-pyrrole is CC.CC1=NC(C)=C(C)C1.
What is the InChIKey of ethane;2,4,5-trimethyl-3H-pyrrole?
The InChIKey is APPUFOVDJNBRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-5-4-6(2)8-7(5)3;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;2,4,5-trimethyl-3H-pyrrole?
ethane;2,4,5-trimethyl-3H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-trimethyl-3H-pyrrole is sourced from PubChem (CID 142136082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).