1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol

C8H9NO — CID 18359311

IUPAC1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1cccn1C
InChIInChI=1S/C8H9NO/c1-3-8(10)7-5-4-6-9(7)2/h1,4-6,8,10H,2H3
InChIKeyHFMJJTRZBNUCKY-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.69
Rot. Bonds1

About 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol

1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol (PubChem CID 18359311) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol
PubChem CID18359311
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1cccn1C
InChIInChI=1S/C8H9NO/c1-3-8(10)7-5-4-6-9(7)2/h1,4-6,8,10H,2H3
InChIKeyHFMJJTRZBNUCKY-UHFFFAOYSA-N
XLogP0.69
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol (CID 18359311) is 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol is C#CC(O)c1cccn1C.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol?
The InChIKey is HFMJJTRZBNUCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-8(10)7-5-4-6-9(7)2/h1,4-6,8,10H,2H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol?
1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol has a molecular weight of 135.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 18359311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).