4,5-di(propan-2-yl)-3H-pyrrole

C10H17N — CID 22891059

IUPAC4,5-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=C(C(C)C)N=CC1
InChIInChI=1S/C10H17N/c1-7(2)9-5-6-11-10(9)8(3)4/h6-8H,5H2,1-4H3
InChIKeyTWVSTFPXHMRYAU-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds2

About 4,5-di(propan-2-yl)-3H-pyrrole

4,5-di(propan-2-yl)-3H-pyrrole (PubChem CID 22891059) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-3H-pyrrole
PubChem CID22891059
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4,5-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=C(C(C)C)N=CC1
InChIInChI=1S/C10H17N/c1-7(2)9-5-6-11-10(9)8(3)4/h6-8H,5H2,1-4H3
InChIKeyTWVSTFPXHMRYAU-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 4,5-di(propan-2-yl)-3H-pyrrole?
The IUPAC name of 4,5-di(propan-2-yl)-3H-pyrrole (CID 22891059) is 4,5-di(propan-2-yl)-3H-pyrrole.
What is the SMILES notation for 4,5-di(propan-2-yl)-3H-pyrrole?
The canonical SMILES for 4,5-di(propan-2-yl)-3H-pyrrole is CC(C)C1=C(C(C)C)N=CC1.
What is the InChIKey of 4,5-di(propan-2-yl)-3H-pyrrole?
The InChIKey is TWVSTFPXHMRYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9-5-6-11-10(9)8(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-3H-pyrrole?
4,5-di(propan-2-yl)-3H-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 4,5-di(propan-2-yl)-3H-pyrrole is sourced from PubChem (CID 22891059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).