2-propyl-3H-pyrrole

C7H11N — CID 20586212

IUPAC2-propyl-3H-pyrrole
SMILESCCCC1=NC=CC1
InChIInChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,6H,2,4-5H2,1H3
InChIKeyQSEFWQYAYAMDMB-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds2

About 2-propyl-3H-pyrrole

2-propyl-3H-pyrrole (PubChem CID 20586212) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-propyl-3H-pyrrole.

Molecular Properties

Compound Name2-propyl-3H-pyrrole
PubChem CID20586212
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-propyl-3H-pyrrole
SMILESCCCC1=NC=CC1
InChIInChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,6H,2,4-5H2,1H3
InChIKeyQSEFWQYAYAMDMB-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propyl-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

Related Compounds

3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
2-Ethyl-3-fluoro-3,4-dihydropyridine
CID 142996668
2-Methyl-3,4-dihydropyridine
CID 14979252
2-Ethyl-3,4-dihydropyridine
CID 14979253
2,3-dimethyl-3H-pyrrole
CID 17769177
2-methyl-3-propyl-3H-pyrrole
CID 20806847
2-methyl-3H-pyrrole
CID 22094043
2-propan-2-yl-3H-pyrrole
CID 23563334
2-ethyl-3H-pyrrole
CID 53796256
1,2-dimethyl-3H-pyrrol-1-ium
CID 57527672

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3H-pyrrole?
The IUPAC name of 2-propyl-3H-pyrrole (CID 20586212) is 2-propyl-3H-pyrrole.
What is the SMILES notation for 2-propyl-3H-pyrrole?
The canonical SMILES for 2-propyl-3H-pyrrole is CCCC1=NC=CC1.
What is the InChIKey of 2-propyl-3H-pyrrole?
The InChIKey is QSEFWQYAYAMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-propyl-3H-pyrrole?
2-propyl-3H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3H-pyrrole is sourced from PubChem (CID 20586212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).