4-(2,2-dimethylpropyl)-2H-pyrrole

C9H15N — CID 89113097

IUPAC4-(2,2-dimethylpropyl)-2H-pyrrole
SMILESCC(C)(C)CC1=CCN=C1
InChIInChI=1S/C9H15N/c1-9(2,3)6-8-4-5-10-7-8/h4,7H,5-6H2,1-3H3
InChIKeyVAIDATYVHSZZDZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2H-pyrrole

4-(2,2-dimethylpropyl)-2H-pyrrole (PubChem CID 89113097) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2H-pyrrole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2H-pyrrole
PubChem CID89113097
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-(2,2-dimethylpropyl)-2H-pyrrole
SMILESCC(C)(C)CC1=CCN=C1
InChIInChI=1S/C9H15N/c1-9(2,3)6-8-4-5-10-7-8/h4,7H,5-6H2,1-3H3
InChIKeyVAIDATYVHSZZDZ-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2H-pyrrole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2H-pyrrole (CID 89113097) is 4-(2,2-dimethylpropyl)-2H-pyrrole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2H-pyrrole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2H-pyrrole is CC(C)(C)CC1=CCN=C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2H-pyrrole?
The InChIKey is VAIDATYVHSZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,3)6-8-4-5-10-7-8/h4,7H,5-6H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2H-pyrrole?
4-(2,2-dimethylpropyl)-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2H-pyrrole is sourced from PubChem (CID 89113097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).