2,3,3-trimethyl-5-propan-2-ylpyrrole

C10H17N — CID 5325602

IUPAC2,3,3-trimethyl-5-propan-2-ylpyrrole
SMILESCC1=NC(C(C)C)=CC1(C)C
InChIInChI=1S/C10H17N/c1-7(2)9-6-10(4,5)8(3)11-9/h6-7H,1-5H3
InChIKeyZHCAEBNPEMIAGB-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds1

About 2,3,3-trimethyl-5-propan-2-ylpyrrole

2,3,3-trimethyl-5-propan-2-ylpyrrole (PubChem CID 5325602) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,3,3-trimethyl-5-propan-2-ylpyrrole.

Molecular Properties

Compound Name2,3,3-trimethyl-5-propan-2-ylpyrrole
PubChem CID5325602
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,3,3-trimethyl-5-propan-2-ylpyrrole
SMILESCC1=NC(C(C)C)=CC1(C)C
InChIInChI=1S/C10H17N/c1-7(2)9-6-10(4,5)8(3)11-9/h6-7H,1-5H3
InChIKeyZHCAEBNPEMIAGB-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 2,3,3-trimethyl-5-propan-2-ylpyrrole?
The IUPAC name of 2,3,3-trimethyl-5-propan-2-ylpyrrole (CID 5325602) is 2,3,3-trimethyl-5-propan-2-ylpyrrole.
What is the SMILES notation for 2,3,3-trimethyl-5-propan-2-ylpyrrole?
The canonical SMILES for 2,3,3-trimethyl-5-propan-2-ylpyrrole is CC1=NC(C(C)C)=CC1(C)C.
What is the InChIKey of 2,3,3-trimethyl-5-propan-2-ylpyrrole?
The InChIKey is ZHCAEBNPEMIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9-6-10(4,5)8(3)11-9/h6-7H,1-5H3.
What are the key properties of 2,3,3-trimethyl-5-propan-2-ylpyrrole?
2,3,3-trimethyl-5-propan-2-ylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5-propan-2-ylpyrrole is sourced from PubChem (CID 5325602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).