3,3-di(propan-2-yl)pyrrole

C10H17N — CID 58056046

IUPAC3,3-di(propan-2-yl)pyrrole
SMILESCC(C)C1(C(C)C)C=CN=C1
InChIInChI=1S/C10H17N/c1-8(2)10(9(3)4)5-6-11-7-10/h5-9H,1-4H3
InChIKeyPTIPDONKVGDMDT-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.88
Rot. Bonds2

About 3,3-di(propan-2-yl)pyrrole

3,3-di(propan-2-yl)pyrrole (PubChem CID 58056046) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name3,3-di(propan-2-yl)pyrrole
PubChem CID58056046
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,3-di(propan-2-yl)pyrrole
SMILESCC(C)C1(C(C)C)C=CN=C1
InChIInChI=1S/C10H17N/c1-8(2)10(9(3)4)5-6-11-7-10/h5-9H,1-4H3
InChIKeyPTIPDONKVGDMDT-UHFFFAOYSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-di(propan-2-yl)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 3,3-di(propan-2-yl)pyrrole?
The IUPAC name of 3,3-di(propan-2-yl)pyrrole (CID 58056046) is 3,3-di(propan-2-yl)pyrrole.
What is the SMILES notation for 3,3-di(propan-2-yl)pyrrole?
The canonical SMILES for 3,3-di(propan-2-yl)pyrrole is CC(C)C1(C(C)C)C=CN=C1.
What is the InChIKey of 3,3-di(propan-2-yl)pyrrole?
The InChIKey is PTIPDONKVGDMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(9(3)4)5-6-11-7-10/h5-9H,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)pyrrole?
3,3-di(propan-2-yl)pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)pyrrole is sourced from PubChem (CID 58056046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).