4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole

C9H17N — CID 70237101

IUPAC4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole
SMILESCCCC1=C(CC)CCN1
InChIInChI=1S/C9H17N/c1-3-5-9-8(4-2)6-7-10-9/h10H,3-7H2,1-2H3
InChIKeyYNYIQKGAJOEKRP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.44
Rot. Bonds3

About 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole

4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole (PubChem CID 70237101) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole
PubChem CID70237101
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole
SMILESCCCC1=C(CC)CCN1
InChIInChI=1S/C9H17N/c1-3-5-9-8(4-2)6-7-10-9/h10H,3-7H2,1-2H3
InChIKeyYNYIQKGAJOEKRP-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-5-propyl-2,3-dihydro-1H-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 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole (CID 70237101) is 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole is CCCC1=C(CC)CCN1.
What is the InChIKey of 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole?
The InChIKey is YNYIQKGAJOEKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-9-8(4-2)6-7-10-9/h10H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole?
4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 70237101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).