2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol

C15H19NO — CID 91300209

IUPAC2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol
SMILESCCC(CO)C1(c2cccc(C)c2)C=CC=N1
InChIInChI=1S/C15H19NO/c1-3-13(11-17)15(8-5-9-16-15)14-7-4-6-12(2)10-14/h4-10,13,17H,3,11H2,1-2H3
InChIKeyBKDKDGIVNTZTTK-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol

2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol (PubChem CID 91300209) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol
PubChem CID91300209
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol
SMILESCCC(CO)C1(c2cccc(C)c2)C=CC=N1
InChIInChI=1S/C15H19NO/c1-3-13(11-17)15(8-5-9-16-15)14-7-4-6-12(2)10-14/h4-10,13,17H,3,11H2,1-2H3
InChIKeyBKDKDGIVNTZTTK-UHFFFAOYSA-N
XLogP2.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol?
The IUPAC name of 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol (CID 91300209) is 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol?
The canonical SMILES for 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol is CCC(CO)C1(c2cccc(C)c2)C=CC=N1.
What is the InChIKey of 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol?
The InChIKey is BKDKDGIVNTZTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-13(11-17)15(8-5-9-16-15)14-7-4-6-12(2)10-14/h4-10,13,17H,3,11H2,1-2H3.
What are the key properties of 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol?
2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)pyrrol-2-yl]butan-1-ol is sourced from PubChem (CID 91300209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).