1-(2-methylpentan-2-yl)pyrrole

C10H17N — CID 59815710

IUPAC1-(2-methylpentan-2-yl)pyrrole
SMILESCCCC(C)(C)n1cccc1
InChIInChI=1S/C10H17N/c1-4-7-10(2,3)11-8-5-6-9-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyWWKAKPGBFYDEEJ-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-methylpentan-2-yl)pyrrole

1-(2-methylpentan-2-yl)pyrrole (PubChem CID 59815710) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(2-methylpentan-2-yl)pyrrole.

Molecular Properties

Compound Name1-(2-methylpentan-2-yl)pyrrole
PubChem CID59815710
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(2-methylpentan-2-yl)pyrrole
SMILESCCCC(C)(C)n1cccc1
InChIInChI=1S/C10H17N/c1-4-7-10(2,3)11-8-5-6-9-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyWWKAKPGBFYDEEJ-UHFFFAOYSA-N
XLogP3.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-2-yl)pyrrole?
The IUPAC name of 1-(2-methylpentan-2-yl)pyrrole (CID 59815710) is 1-(2-methylpentan-2-yl)pyrrole.
What is the SMILES notation for 1-(2-methylpentan-2-yl)pyrrole?
The canonical SMILES for 1-(2-methylpentan-2-yl)pyrrole is CCCC(C)(C)n1cccc1.
What is the InChIKey of 1-(2-methylpentan-2-yl)pyrrole?
The InChIKey is WWKAKPGBFYDEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-10(2,3)11-8-5-6-9-11/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 1-(2-methylpentan-2-yl)pyrrole?
1-(2-methylpentan-2-yl)pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-2-yl)pyrrole is sourced from PubChem (CID 59815710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).