1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol

C13H23NO — CID 82929201

IUPAC1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol
SMILESCCC(CC)Cn1ccc(C(O)CC)c1
InChIInChI=1S/C13H23NO/c1-4-11(5-2)9-14-8-7-12(10-14)13(15)6-3/h7-8,10-11,13,15H,4-6,9H2,1-3H3
InChIKeyXVQJERNGDXLLLH-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.37
Rot. Bonds6

About 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol

1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol (PubChem CID 82929201) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol
PubChem CID82929201
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol
SMILESCCC(CC)Cn1ccc(C(O)CC)c1
InChIInChI=1S/C13H23NO/c1-4-11(5-2)9-14-8-7-12(10-14)13(15)6-3/h7-8,10-11,13,15H,4-6,9H2,1-3H3
InChIKeyXVQJERNGDXLLLH-UHFFFAOYSA-N
XLogP3.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol (CID 82929201) is 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol is CCC(CC)Cn1ccc(C(O)CC)c1.
What is the InChIKey of 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is XVQJERNGDXLLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-11(5-2)9-14-8-7-12(10-14)13(15)6-3/h7-8,10-11,13,15H,4-6,9H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol?
1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 82929201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).