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

C13H23N — CID 58164588

IUPAC2,3,5-tri(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=CC(C(C)C)C(C(C)C)=N1
InChIInChI=1S/C13H23N/c1-8(2)11-7-12(9(3)4)14-13(11)10(5)6/h7-11H,1-6H3
InChIKeyZSAAXPAAKWSPDB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.91
Rot. Bonds3

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

2,3,5-tri(propan-2-yl)-3H-pyrrole (PubChem CID 58164588) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,3,5-tri(propan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name2,3,5-tri(propan-2-yl)-3H-pyrrole
PubChem CID58164588
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,3,5-tri(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=CC(C(C)C)C(C(C)C)=N1
InChIInChI=1S/C13H23N/c1-8(2)11-7-12(9(3)4)14-13(11)10(5)6/h7-11H,1-6H3
InChIKeyZSAAXPAAKWSPDB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Trimethyl-3,4-dihydropyridine
CID 90994023
3-fluoro-5-methyl-2-propan-2-yl-3H-pyrrole
CID 166768598
3H-Pyrrole, 2,3,3-trimethyl-5-(1-methylethyl)-
CID 5325602
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
CID 23518376
4-Ethyl-2,6-dimethyl-3,4-dihydropyridine
CID 56618361
2,6-Dimethyl-4-propyl-3,4-dihydropyridine
CID 57200011
2,5-ditert-butyl-3H-pyrrole
CID 57571665
2,5-di(propan-2-yl)-3H-pyrrole
CID 58428380
5-methyl-2-propan-2-yl-3H-pyrrole
CID 58746479
5-cyclohexyl-2-methyl-3H-pyrrole
CID 59603381
(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine
CID 60123254
(3S)-2,3,6-trimethyl-3,4-dihydropyridine
CID 67991593

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tri(propan-2-yl)-3H-pyrrole?
The IUPAC name of 2,3,5-tri(propan-2-yl)-3H-pyrrole (CID 58164588) is 2,3,5-tri(propan-2-yl)-3H-pyrrole.
What is the SMILES notation for 2,3,5-tri(propan-2-yl)-3H-pyrrole?
The canonical SMILES for 2,3,5-tri(propan-2-yl)-3H-pyrrole is CC(C)C1=CC(C(C)C)C(C(C)C)=N1.
What is the InChIKey of 2,3,5-tri(propan-2-yl)-3H-pyrrole?
The InChIKey is ZSAAXPAAKWSPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8(2)11-7-12(9(3)4)14-13(11)10(5)6/h7-11H,1-6H3.
What are the key properties of 2,3,5-tri(propan-2-yl)-3H-pyrrole?
2,3,5-tri(propan-2-yl)-3H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tri(propan-2-yl)-3H-pyrrole is sourced from PubChem (CID 58164588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).