2-(2-methyl-3-propylpyrrol-1-yl)ethanol

C10H17NO — CID 124705282

IUPAC2-(2-methyl-3-propylpyrrol-1-yl)ethanol
SMILESCCCc1ccn(CCO)c1C
InChIInChI=1S/C10H17NO/c1-3-4-10-5-6-11(7-8-12)9(10)2/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyAYVQOCWFPKIAMH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.74
Rot. Bonds4

About 2-(2-methyl-3-propylpyrrol-1-yl)ethanol

2-(2-methyl-3-propylpyrrol-1-yl)ethanol (PubChem CID 124705282) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(2-methyl-3-propylpyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-3-propylpyrrol-1-yl)ethanol
PubChem CID124705282
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(2-methyl-3-propylpyrrol-1-yl)ethanol
SMILESCCCc1ccn(CCO)c1C
InChIInChI=1S/C10H17NO/c1-3-4-10-5-6-11(7-8-12)9(10)2/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyAYVQOCWFPKIAMH-UHFFFAOYSA-N
XLogP1.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-propylpyrrol-1-yl)ethanol?
The IUPAC name of 2-(2-methyl-3-propylpyrrol-1-yl)ethanol (CID 124705282) is 2-(2-methyl-3-propylpyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-3-propylpyrrol-1-yl)ethanol?
The canonical SMILES for 2-(2-methyl-3-propylpyrrol-1-yl)ethanol is CCCc1ccn(CCO)c1C.
What is the InChIKey of 2-(2-methyl-3-propylpyrrol-1-yl)ethanol?
The InChIKey is AYVQOCWFPKIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-10-5-6-11(7-8-12)9(10)2/h5-6,12H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2-methyl-3-propylpyrrol-1-yl)ethanol?
2-(2-methyl-3-propylpyrrol-1-yl)ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-propylpyrrol-1-yl)ethanol is sourced from PubChem (CID 124705282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).