ethane;2H-pyrrole

C8H17N — CID 90885287

IUPACethane;2H-pyrrole
SMILESC1=CCN=C1.CC.CC
InChIInChI=1S/C4H5N.2C2H6/c1-2-4-5-3-1;2*1-2/h1-3H,4H2;2*1-2H3
InChIKeyLWTRGYGGIYRDDQ-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.68
Rot. Bonds

About ethane;2H-pyrrole

ethane;2H-pyrrole (PubChem CID 90885287) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;2H-pyrrole.

Molecular Properties

Compound Nameethane;2H-pyrrole
PubChem CID90885287
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;2H-pyrrole
SMILESC1=CCN=C1.CC.CC
InChIInChI=1S/C4H5N.2C2H6/c1-2-4-5-3-1;2*1-2/h1-3H,4H2;2*1-2H3
InChIKeyLWTRGYGGIYRDDQ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2H-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;2H-pyrrole?
The IUPAC name of ethane;2H-pyrrole (CID 90885287) is ethane;2H-pyrrole.
What is the SMILES notation for ethane;2H-pyrrole?
The canonical SMILES for ethane;2H-pyrrole is C1=CCN=C1.CC.CC.
What is the InChIKey of ethane;2H-pyrrole?
The InChIKey is LWTRGYGGIYRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C2H6/c1-2-4-5-3-1;2*1-2/h1-3H,4H2;2*1-2H3.
What are the key properties of ethane;2H-pyrrole?
ethane;2H-pyrrole has a molecular weight of 127.23 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-pyrrole is sourced from PubChem (CID 90885287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).