3,5-di(propan-2-yl)-2H-pyrrole

C10H17N — CID 59519975

IUPAC3,5-di(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=CC(C(C)C)=NC1
InChIInChI=1S/C10H17N/c1-7(2)9-5-10(8(3)4)11-6-9/h5,7-8H,6H2,1-4H3
InChIKeyGZKNCVIDKXIXLE-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds2

About 3,5-di(propan-2-yl)-2H-pyrrole

3,5-di(propan-2-yl)-2H-pyrrole (PubChem CID 59519975) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-2H-pyrrole
PubChem CID59519975
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,5-di(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=CC(C(C)C)=NC1
InChIInChI=1S/C10H17N/c1-7(2)9-5-10(8(3)4)11-6-9/h5,7-8H,6H2,1-4H3
InChIKeyGZKNCVIDKXIXLE-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-2H-pyrrole?
The IUPAC name of 3,5-di(propan-2-yl)-2H-pyrrole (CID 59519975) is 3,5-di(propan-2-yl)-2H-pyrrole.
What is the SMILES notation for 3,5-di(propan-2-yl)-2H-pyrrole?
The canonical SMILES for 3,5-di(propan-2-yl)-2H-pyrrole is CC(C)C1=CC(C(C)C)=NC1.
What is the InChIKey of 3,5-di(propan-2-yl)-2H-pyrrole?
The InChIKey is GZKNCVIDKXIXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9-5-10(8(3)4)11-6-9/h5,7-8H,6H2,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-2H-pyrrole?
3,5-di(propan-2-yl)-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-2H-pyrrole is sourced from PubChem (CID 59519975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).