ethane;2-methyl-3H-pyrrole

C9H19N — CID 91496644

IUPACethane;2-methyl-3H-pyrrole
SMILESCC.CC.CC1=NC=CC1
InChIInChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h2,4H,3H2,1H3;2*1-2H3
InChIKeyYPODEMCTUMPYKX-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.42
Rot. Bonds

About ethane;2-methyl-3H-pyrrole

ethane;2-methyl-3H-pyrrole (PubChem CID 91496644) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;2-methyl-3H-pyrrole.

Molecular Properties

Compound Nameethane;2-methyl-3H-pyrrole
PubChem CID91496644
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;2-methyl-3H-pyrrole
SMILESCC.CC.CC1=NC=CC1
InChIInChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h2,4H,3H2,1H3;2*1-2H3
InChIKeyYPODEMCTUMPYKX-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3H-pyrrole?
The IUPAC name of ethane;2-methyl-3H-pyrrole (CID 91496644) is ethane;2-methyl-3H-pyrrole.
What is the SMILES notation for ethane;2-methyl-3H-pyrrole?
The canonical SMILES for ethane;2-methyl-3H-pyrrole is CC.CC.CC1=NC=CC1.
What is the InChIKey of ethane;2-methyl-3H-pyrrole?
The InChIKey is YPODEMCTUMPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h2,4H,3H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-3H-pyrrole?
ethane;2-methyl-3H-pyrrole has a molecular weight of 141.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3H-pyrrole is sourced from PubChem (CID 91496644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).