2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole

C13H25N — CID 59435173

IUPAC2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole
SMILESCC(C)C1=C(C(C)C)C(C)(C)C(C)N1
InChIInChI=1S/C13H25N/c1-8(2)11-12(9(3)4)14-10(5)13(11,6)7/h8-10,14H,1-7H3
InChIKeyGVQGBEYALBUZIA-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.57
Rot. Bonds2

About 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole

2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole (PubChem CID 59435173) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole.

Molecular Properties

Compound Name2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole
PubChem CID59435173
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole
SMILESCC(C)C1=C(C(C)C)C(C)(C)C(C)N1
InChIInChI=1S/C13H25N/c1-8(2)11-12(9(3)4)14-10(5)13(11,6)7/h8-10,14H,1-7H3
InChIKeyGVQGBEYALBUZIA-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole?
The IUPAC name of 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole (CID 59435173) is 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole.
What is the SMILES notation for 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole?
The canonical SMILES for 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole is CC(C)C1=C(C(C)C)C(C)(C)C(C)N1.
What is the InChIKey of 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole?
The InChIKey is GVQGBEYALBUZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)11-12(9(3)4)14-10(5)13(11,6)7/h8-10,14H,1-7H3.
What are the key properties of 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole?
2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole has a molecular weight of 195.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole is sourced from PubChem (CID 59435173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).