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

C13H23N — CID 170024592

IUPAC3,4,5-tri(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=NCC(C(C)C)=C1C(C)C
InChIInChI=1S/C13H23N/c1-8(2)11-7-14-13(10(5)6)12(11)9(3)4/h8-10H,7H2,1-6H3
InChIKeySVIHFUQICVMDGE-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.71
Rot. Bonds3

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

3,4,5-tri(propan-2-yl)-2H-pyrrole (PubChem CID 170024592) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name3,4,5-tri(propan-2-yl)-2H-pyrrole
PubChem CID170024592
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,4,5-tri(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=NCC(C(C)C)=C1C(C)C
InChIInChI=1S/C13H23N/c1-8(2)11-7-14-13(10(5)6)12(11)9(3)4/h8-10H,7H2,1-6H3
InChIKeySVIHFUQICVMDGE-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-yl)-2H-pyrrole?
The IUPAC name of 3,4,5-tri(propan-2-yl)-2H-pyrrole (CID 170024592) is 3,4,5-tri(propan-2-yl)-2H-pyrrole.
What is the SMILES notation for 3,4,5-tri(propan-2-yl)-2H-pyrrole?
The canonical SMILES for 3,4,5-tri(propan-2-yl)-2H-pyrrole is CC(C)C1=NCC(C(C)C)=C1C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-yl)-2H-pyrrole?
The InChIKey is SVIHFUQICVMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8(2)11-7-14-13(10(5)6)12(11)9(3)4/h8-10H,7H2,1-6H3.
What are the key properties of 3,4,5-tri(propan-2-yl)-2H-pyrrole?
3,4,5-tri(propan-2-yl)-2H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-yl)-2H-pyrrole is sourced from PubChem (CID 170024592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).