2-methyl-2-propylpyrrole

C8H13N — CID 57216634

IUPAC2-methyl-2-propylpyrrole
SMILESCCCC1(C)C=CC=N1
InChIInChI=1S/C8H13N/c1-3-5-8(2)6-4-7-9-8/h4,6-7H,3,5H2,1-2H3
InChIKeyBXQROBWSRKYUAU-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-2-propylpyrrole

2-methyl-2-propylpyrrole (PubChem CID 57216634) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methyl-2-propylpyrrole.

Molecular Properties

Compound Name2-methyl-2-propylpyrrole
PubChem CID57216634
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methyl-2-propylpyrrole
SMILESCCCC1(C)C=CC=N1
InChIInChI=1S/C8H13N/c1-3-5-8(2)6-4-7-9-8/h4,6-7H,3,5H2,1-2H3
InChIKeyBXQROBWSRKYUAU-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-propylpyrrole 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

Cyclohexanespiropyrrole
CID 129871589
2-But-2-enyl-2-ethylpyrrole
CID 57004955
2-But-2-ynyl-2-methylpyrrole
CID 57091578
2-But-2-ynyl-2-ethylpyrrole
CID 57292671
2,2-Dimethylpyrrole
CID 57914006
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
2-tert-butyl-2H-pyrrole
CID 59486379
4a,7a-dimethyl-7H-cyclopenta[b]pyrazine
CID 68952124
2-ethyl-2-methyl-3H-pyridine
CID 89409880
2,3-di(propan-2-yl)-2H-pyrrole
CID 89447167
3-Butan-2-yl-2,2-dimethylpyrrole
CID 90014489
2-(Cyclopropylmethyl)-2-methylpyrrole
CID 90798396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylpyrrole?
The IUPAC name of 2-methyl-2-propylpyrrole (CID 57216634) is 2-methyl-2-propylpyrrole.
What is the SMILES notation for 2-methyl-2-propylpyrrole?
The canonical SMILES for 2-methyl-2-propylpyrrole is CCCC1(C)C=CC=N1.
What is the InChIKey of 2-methyl-2-propylpyrrole?
The InChIKey is BXQROBWSRKYUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-8(2)6-4-7-9-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methyl-2-propylpyrrole?
2-methyl-2-propylpyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylpyrrole is sourced from PubChem (CID 57216634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).