5-butan-2-yl-2,3,3-trimethylpyrrole

C11H19N — CID 10558985

IUPAC5-butan-2-yl-2,3,3-trimethylpyrrole
SMILESCCC(C)C1=CC(C)(C)C(C)=N1
InChIInChI=1S/C11H19N/c1-6-8(2)10-7-11(4,5)9(3)12-10/h7-8H,6H2,1-5H3
InChIKeyRHKHACRSQAHTQI-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds2

About 5-butan-2-yl-2,3,3-trimethylpyrrole

5-butan-2-yl-2,3,3-trimethylpyrrole (PubChem CID 10558985) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-butan-2-yl-2,3,3-trimethylpyrrole.

Molecular Properties

Compound Name5-butan-2-yl-2,3,3-trimethylpyrrole
PubChem CID10558985
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-butan-2-yl-2,3,3-trimethylpyrrole
SMILESCCC(C)C1=CC(C)(C)C(C)=N1
InChIInChI=1S/C11H19N/c1-6-8(2)10-7-11(4,5)9(3)12-10/h7-8H,6H2,1-5H3
InChIKeyRHKHACRSQAHTQI-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13734873
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3H-Pyrrole, 2,3,3-trimethyl-5-(1-methylethyl)-
CID 5325602
2,5-ditert-butyl-3H-pyrrole
CID 57571665
5-(2,2-dimethylpropyl)-3H-pyrrole
CID 57638668
5-tert-butyl-2-methyl-3H-pyrrole
CID 58263517
2-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 58333388
2,5-di(propan-2-yl)-3H-pyrrole
CID 58428380
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147
5-methyl-2-propan-2-yl-3H-pyrrole
CID 58746479
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
5-(2,2-dimethylpropyl)-2-methyl-3H-pyrrole
CID 68011810

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3,3-trimethylpyrrole?
The IUPAC name of 5-butan-2-yl-2,3,3-trimethylpyrrole (CID 10558985) is 5-butan-2-yl-2,3,3-trimethylpyrrole.
What is the SMILES notation for 5-butan-2-yl-2,3,3-trimethylpyrrole?
The canonical SMILES for 5-butan-2-yl-2,3,3-trimethylpyrrole is CCC(C)C1=CC(C)(C)C(C)=N1.
What is the InChIKey of 5-butan-2-yl-2,3,3-trimethylpyrrole?
The InChIKey is RHKHACRSQAHTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8(2)10-7-11(4,5)9(3)12-10/h7-8H,6H2,1-5H3.
What are the key properties of 5-butan-2-yl-2,3,3-trimethylpyrrole?
5-butan-2-yl-2,3,3-trimethylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3,3-trimethylpyrrole is sourced from PubChem (CID 10558985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).