3,3-dimethyl-2-(2-methylpropyl)pyrrole

C10H17N — CID 90015757

IUPAC3,3-dimethyl-2-(2-methylpropyl)pyrrole
SMILESCC(C)CC1=NC=CC1(C)C
InChIInChI=1S/C10H17N/c1-8(2)7-9-10(3,4)5-6-11-9/h5-6,8H,7H2,1-4H3
InChIKeyXSDLZKSNIACZKD-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds2

About 3,3-dimethyl-2-(2-methylpropyl)pyrrole

3,3-dimethyl-2-(2-methylpropyl)pyrrole (PubChem CID 90015757) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylpropyl)pyrrole.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylpropyl)pyrrole
PubChem CID90015757
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,3-dimethyl-2-(2-methylpropyl)pyrrole
SMILESCC(C)CC1=NC=CC1(C)C
InChIInChI=1S/C10H17N/c1-8(2)7-9-10(3,4)5-6-11-9/h5-6,8H,7H2,1-4H3
InChIKeyXSDLZKSNIACZKD-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-methylpropyl)pyrrole?
The IUPAC name of 3,3-dimethyl-2-(2-methylpropyl)pyrrole (CID 90015757) is 3,3-dimethyl-2-(2-methylpropyl)pyrrole.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylpropyl)pyrrole?
The canonical SMILES for 3,3-dimethyl-2-(2-methylpropyl)pyrrole is CC(C)CC1=NC=CC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-methylpropyl)pyrrole?
The InChIKey is XSDLZKSNIACZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)7-9-10(3,4)5-6-11-9/h5-6,8H,7H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-methylpropyl)pyrrole?
3,3-dimethyl-2-(2-methylpropyl)pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylpropyl)pyrrole is sourced from PubChem (CID 90015757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).