2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one

C7H7NO2 — CID 130348539

IUPAC2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one
SMILESC#CCN1C(=O)C=CC1O
InChIInChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1,3-4,6,9H,5H2
InChIKeyPKJONEJDZFZSAG-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.66
Rot. Bonds1

About 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one

2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one (PubChem CID 130348539) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one
PubChem CID130348539
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one
SMILESC#CCN1C(=O)C=CC1O
InChIInChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1,3-4,6,9H,5H2
InChIKeyPKJONEJDZFZSAG-UHFFFAOYSA-N
XLogP-0.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 10898807
2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 12119960
1-fluoro-2-hydroxy-2H-pyrrol-5-one
CID 101203562
2-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
CID 12119959
1,2-dihydroxy-2H-pyrrol-5-one
CID 19838066
2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 44472011
1-(1-Hydroxyprop-2-enyl)pyrrole-2,5-dione
CID 66809928
1-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 68342716
1-(1-hydroxyprop-2-enyl)-2H-pyrrol-5-one
CID 69775072
2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one
CID 90385914
1-butyl-2-hydroxy-2H-pyrrol-5-one
CID 91373224
(2R)-1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 117766136

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one (CID 130348539) is 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one is C#CCN1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one?
The InChIKey is PKJONEJDZFZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1,3-4,6,9H,5H2.
What are the key properties of 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one?
2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one has a molecular weight of 137.14 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-prop-2-ynyl-2H-pyrrol-5-one is sourced from PubChem (CID 130348539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).