5-ethyl-3H-pyrrole;methane

C7H13N — CID 158012906

IUPAC5-ethyl-3H-pyrrole;methane
SMILESC.CCC1=CCC=N1
InChIInChI=1S/C6H9N.CH4/c1-2-6-4-3-5-7-6;/h4-5H,2-3H2,1H3;1H4
InChIKeyFFCOPRPFJXZORD-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.39
Rot. Bonds1

About 5-ethyl-3H-pyrrole;methane

5-ethyl-3H-pyrrole;methane (PubChem CID 158012906) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5-ethyl-3H-pyrrole;methane.

Molecular Properties

Compound Name5-ethyl-3H-pyrrole;methane
PubChem CID158012906
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5-ethyl-3H-pyrrole;methane
SMILESC.CCC1=CCC=N1
InChIInChI=1S/C6H9N.CH4/c1-2-6-4-3-5-7-6;/h4-5H,2-3H2,1H3;1H4
InChIKeyFFCOPRPFJXZORD-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-3H-pyrrole;methane 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

3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
3,3-Difluoro-5-methylpyrrole
CID 141489180
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
5-(difluoromethyl)-3H-pyrrole
CID 174763650
N-[(2E)-2-fluorohexa-2,5-dien-3-yl]propan-1-imine
CID 142913329
3,5-dimethyl-3H-pyrrole
CID 10270971
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
5-ethyl-3H-pyrrole
CID 18717561
5-methyl-3H-pyrrole
CID 18736592
N-pent-2-en-3-ylethanimine
CID 20761973

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3H-pyrrole;methane?
The IUPAC name of 5-ethyl-3H-pyrrole;methane (CID 158012906) is 5-ethyl-3H-pyrrole;methane.
What is the SMILES notation for 5-ethyl-3H-pyrrole;methane?
The canonical SMILES for 5-ethyl-3H-pyrrole;methane is C.CCC1=CCC=N1.
What is the InChIKey of 5-ethyl-3H-pyrrole;methane?
The InChIKey is FFCOPRPFJXZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.CH4/c1-2-6-4-3-5-7-6;/h4-5H,2-3H2,1H3;1H4.
What are the key properties of 5-ethyl-3H-pyrrole;methane?
5-ethyl-3H-pyrrole;methane has a molecular weight of 111.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-pyrrole;methane is sourced from PubChem (CID 158012906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).