3H-pyrrol-2-olate

C4H4NO- — CID 19759615

IUPAC3H-pyrrol-2-olate
SMILES[O-]C1=NC=CC1
InChIInChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)/p-1
InChIKeyVIESAWGOYVNHLV-UHFFFAOYSA-M
MW82.08 g/mol
LogP-0.34
Rot. Bonds

About 3H-pyrrol-2-olate

3H-pyrrol-2-olate (PubChem CID 19759615) has the molecular formula C4H4NO- and a molecular weight of 82.08 g/mol. Its IUPAC name is 3H-pyrrol-2-olate.

Molecular Properties

Compound Name3H-pyrrol-2-olate
PubChem CID19759615
Molecular FormulaC4H4NO-
Molecular Weight82.08 g/mol
Exact Mass82.03
IUPAC Name3H-pyrrol-2-olate
SMILES[O-]C1=NC=CC1
InChIInChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)/p-1
InChIKeyVIESAWGOYVNHLV-UHFFFAOYSA-M
XLogP-0.34
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.08
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-2-olate?
The IUPAC name of 3H-pyrrol-2-olate (CID 19759615) is 3H-pyrrol-2-olate.
What is the SMILES notation for 3H-pyrrol-2-olate?
The canonical SMILES for 3H-pyrrol-2-olate is [O-]C1=NC=CC1.
What is the InChIKey of 3H-pyrrol-2-olate?
The InChIKey is VIESAWGOYVNHLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)/p-1.
What are the key properties of 3H-pyrrol-2-olate?
3H-pyrrol-2-olate has a molecular weight of 82.08 g/mol, XLogP of -0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-2-olate is sourced from PubChem (CID 19759615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).