2,3,4-tri(propan-2-yl)-1H-pyrrole

C13H23N — CID 90075939

IUPAC2,3,4-tri(propan-2-yl)-1H-pyrrole
SMILESCC(C)c1c[nH]c(C(C)C)c1C(C)C
InChIInChI=1S/C13H23N/c1-8(2)11-7-14-13(10(5)6)12(11)9(3)4/h7-10,14H,1-6H3
InChIKeyNIKWLJIBVWDWQG-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.38
Rot. Bonds3

About 2,3,4-tri(propan-2-yl)-1H-pyrrole

2,3,4-tri(propan-2-yl)-1H-pyrrole (PubChem CID 90075939) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,3,4-tri(propan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-tri(propan-2-yl)-1H-pyrrole
PubChem CID90075939
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,3,4-tri(propan-2-yl)-1H-pyrrole
SMILESCC(C)c1c[nH]c(C(C)C)c1C(C)C
InChIInChI=1S/C13H23N/c1-8(2)11-7-14-13(10(5)6)12(11)9(3)4/h7-10,14H,1-6H3
InChIKeyNIKWLJIBVWDWQG-UHFFFAOYSA-N
XLogP4.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tri(propan-2-yl)-1H-pyrrole?
The IUPAC name of 2,3,4-tri(propan-2-yl)-1H-pyrrole (CID 90075939) is 2,3,4-tri(propan-2-yl)-1H-pyrrole.
What is the SMILES notation for 2,3,4-tri(propan-2-yl)-1H-pyrrole?
The canonical SMILES for 2,3,4-tri(propan-2-yl)-1H-pyrrole is CC(C)c1c[nH]c(C(C)C)c1C(C)C.
What is the InChIKey of 2,3,4-tri(propan-2-yl)-1H-pyrrole?
The InChIKey is NIKWLJIBVWDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8(2)11-7-14-13(10(5)6)12(11)9(3)4/h7-10,14H,1-6H3.
What are the key properties of 2,3,4-tri(propan-2-yl)-1H-pyrrole?
2,3,4-tri(propan-2-yl)-1H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tri(propan-2-yl)-1H-pyrrole is sourced from PubChem (CID 90075939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).