1-(2-methylpropyl)pyrrole

C8H13N — CID 23279512

IUPAC1-(2-methylpropyl)pyrrole
SMILESCC(C)Cn1cccc1
InChIInChI=1S/C8H13N/c1-8(2)7-9-5-3-4-6-9/h3-6,8H,7H2,1-2H3
InChIKeyCDSYXCIQYSQOKF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.14
Rot. Bonds2

About 1-(2-methylpropyl)pyrrole

1-(2-methylpropyl)pyrrole (PubChem CID 23279512) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-(2-methylpropyl)pyrrole.

Molecular Properties

Compound Name1-(2-methylpropyl)pyrrole
PubChem CID23279512
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-(2-methylpropyl)pyrrole
SMILESCC(C)Cn1cccc1
InChIInChI=1S/C8H13N/c1-8(2)7-9-5-3-4-6-9/h3-6,8H,7H2,1-2H3
InChIKeyCDSYXCIQYSQOKF-UHFFFAOYSA-N
XLogP2.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylpropyl)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 1-(2-methylpropyl)pyrrole?
The IUPAC name of 1-(2-methylpropyl)pyrrole (CID 23279512) is 1-(2-methylpropyl)pyrrole.
What is the SMILES notation for 1-(2-methylpropyl)pyrrole?
The canonical SMILES for 1-(2-methylpropyl)pyrrole is CC(C)Cn1cccc1.
What is the InChIKey of 1-(2-methylpropyl)pyrrole?
The InChIKey is CDSYXCIQYSQOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)7-9-5-3-4-6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)pyrrole?
1-(2-methylpropyl)pyrrole has a molecular weight of 123.20 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 1-(2-methylpropyl)pyrrole is sourced from PubChem (CID 23279512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).