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

C9H9NO — CID 122366487

IUPAC1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1cccn1C=C
InChIInChI=1S/C9H9NO/c1-3-9(11)8-6-5-7-10(8)4-2/h1,4-7,9,11H,2H2
InChIKeyNRMNXESFXWFQHZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.26
Rot. Bonds2

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

1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol (PubChem CID 122366487) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol
PubChem CID122366487
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1cccn1C=C
InChIInChI=1S/C9H9NO/c1-3-9(11)8-6-5-7-10(8)4-2/h1,4-7,9,11H,2H2
InChIKeyNRMNXESFXWFQHZ-UHFFFAOYSA-N
XLogP1.26
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.26
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-ethenylpyrrol-2-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol (CID 122366487) is 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol is C#CC(O)c1cccn1C=C.
What is the InChIKey of 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol?
The InChIKey is NRMNXESFXWFQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-3-9(11)8-6-5-7-10(8)4-2/h1,4-7,9,11H,2H2.
What are the key properties of 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol?
1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol has a molecular weight of 147.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 122366487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).