1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole

C14H25N — CID 10846010

IUPAC1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole
SMILESCCCc1c(CC)cn(C(C)(C)C)c1C
InChIInChI=1S/C14H25N/c1-7-9-13-11(3)15(14(4,5)6)10-12(13)8-2/h10H,7-9H2,1-6H3
InChIKeyNYIOSLXSZWLEMM-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.07
Rot. Bonds3

About 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole

1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole (PubChem CID 10846010) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole
PubChem CID10846010
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole
SMILESCCCc1c(CC)cn(C(C)(C)C)c1C
InChIInChI=1S/C14H25N/c1-7-9-13-11(3)15(14(4,5)6)10-12(13)8-2/h10H,7-9H2,1-6H3
InChIKeyNYIOSLXSZWLEMM-UHFFFAOYSA-N
XLogP4.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole?
The IUPAC name of 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole (CID 10846010) is 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole.
What is the SMILES notation for 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole?
The canonical SMILES for 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole is CCCc1c(CC)cn(C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole?
The InChIKey is NYIOSLXSZWLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-7-9-13-11(3)15(14(4,5)6)10-12(13)8-2/h10H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole?
1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-2-methyl-3-propylpyrrole is sourced from PubChem (CID 10846010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).