ethane;3H-pyrrole

C10H23N — CID 54050481

IUPACethane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC.CC
InChIInChI=1S/C4H5N.3C2H6/c1-2-4-5-3-1;3*1-2/h1,3-4H,2H2;3*1-2H3
InChIKeyLSNTVMJANBFQCL-UHFFFAOYSA-N
MW157.30 g/mol
LogP4.05
Rot. Bonds

About ethane;3H-pyrrole

ethane;3H-pyrrole (PubChem CID 54050481) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;3H-pyrrole.

Molecular Properties

Compound Nameethane;3H-pyrrole
PubChem CID54050481
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC.CC
InChIInChI=1S/C4H5N.3C2H6/c1-2-4-5-3-1;3*1-2/h1,3-4H,2H2;3*1-2H3
InChIKeyLSNTVMJANBFQCL-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;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;3H-pyrrole?
The IUPAC name of ethane;3H-pyrrole (CID 54050481) is ethane;3H-pyrrole.
What is the SMILES notation for ethane;3H-pyrrole?
The canonical SMILES for ethane;3H-pyrrole is C1=CN=CC1.CC.CC.CC.
What is the InChIKey of ethane;3H-pyrrole?
The InChIKey is LSNTVMJANBFQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.3C2H6/c1-2-4-5-3-1;3*1-2/h1,3-4H,2H2;3*1-2H3.
What are the key properties of ethane;3H-pyrrole?
ethane;3H-pyrrole has a molecular weight of 157.30 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-pyrrole is sourced from PubChem (CID 54050481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).