4-cyclopropyl-2-methyl-3H-pyrrole

C8H11N — CID 158043817

IUPAC4-cyclopropyl-2-methyl-3H-pyrrole
SMILESCC1=NC=C(C2CC2)C1
InChIInChI=1S/C8H11N/c1-6-4-8(5-9-6)7-2-3-7/h5,7H,2-4H2,1H3
InChIKeyYEFLFYVXRZMNCA-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.14
Rot. Bonds1

About 4-cyclopropyl-2-methyl-3H-pyrrole

4-cyclopropyl-2-methyl-3H-pyrrole (PubChem CID 158043817) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-3H-pyrrole
PubChem CID158043817
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-cyclopropyl-2-methyl-3H-pyrrole
SMILESCC1=NC=C(C2CC2)C1
InChIInChI=1S/C8H11N/c1-6-4-8(5-9-6)7-2-3-7/h5,7H,2-4H2,1H3
InChIKeyYEFLFYVXRZMNCA-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclopropyl-2-methyl-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

2-cyclopropyl-4-(trifluoromethyl)-3H-pyrrole
CID 148554571
4-tert-butyl-2-methyl-3H-pyrrole
CID 20737593
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
2-ethyl-4-ethyl-3H-pyrrole;tungsten
CID 57722005
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
2,4-ditert-butyl-3H-pyrrole
CID 59825006
4-methyl-2-propan-2-yl-3H-pyrrole
CID 60081030
2,4-di(propan-2-yl)-3H-pyrrole
CID 60102688
2,3,5-Trimethyl-3,4-dihydropyridine
CID 70334290
3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
CID 89308388
6-ethyl-2-propan-2-yl-4,5-dihydro-3H-azepine
CID 90968428
2-Methyl-5-propan-2-yl-3,4-dihydropyridine
CID 91109282

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-3H-pyrrole?
The IUPAC name of 4-cyclopropyl-2-methyl-3H-pyrrole (CID 158043817) is 4-cyclopropyl-2-methyl-3H-pyrrole.
What is the SMILES notation for 4-cyclopropyl-2-methyl-3H-pyrrole?
The canonical SMILES for 4-cyclopropyl-2-methyl-3H-pyrrole is CC1=NC=C(C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-2-methyl-3H-pyrrole?
The InChIKey is YEFLFYVXRZMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-8(5-9-6)7-2-3-7/h5,7H,2-4H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-3H-pyrrole?
4-cyclopropyl-2-methyl-3H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 158043817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).