4-chloro-2H-pyrrol-2-ol

C4H4ClNO — CID 175058956

IUPAC4-chloro-2H-pyrrol-2-ol
SMILESOC1C=C(Cl)C=N1
InChIInChI=1S/C4H4ClNO/c5-3-1-4(7)6-2-3/h1-2,4,7H
InChIKeySFFYQMTUBNZPOX-UHFFFAOYSA-N
MW117.53 g/mol
LogP0.51
Rot. Bonds

About 4-chloro-2H-pyrrol-2-ol

4-chloro-2H-pyrrol-2-ol (PubChem CID 175058956) has the molecular formula C4H4ClNO and a molecular weight of 117.53 g/mol. Its IUPAC name is 4-chloro-2H-pyrrol-2-ol.

Molecular Properties

Compound Name4-chloro-2H-pyrrol-2-ol
PubChem CID175058956
Molecular FormulaC4H4ClNO
Molecular Weight117.53 g/mol
Exact Mass117.00
IUPAC Name4-chloro-2H-pyrrol-2-ol
SMILESOC1C=C(Cl)C=N1
InChIInChI=1S/C4H4ClNO/c5-3-1-4(7)6-2-3/h1-2,4,7H
InChIKeySFFYQMTUBNZPOX-UHFFFAOYSA-N
XLogP0.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-pyrrol-2-ol?
The IUPAC name of 4-chloro-2H-pyrrol-2-ol (CID 175058956) is 4-chloro-2H-pyrrol-2-ol.
What is the SMILES notation for 4-chloro-2H-pyrrol-2-ol?
The canonical SMILES for 4-chloro-2H-pyrrol-2-ol is OC1C=C(Cl)C=N1.
What is the InChIKey of 4-chloro-2H-pyrrol-2-ol?
The InChIKey is SFFYQMTUBNZPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO/c5-3-1-4(7)6-2-3/h1-2,4,7H.
What are the key properties of 4-chloro-2H-pyrrol-2-ol?
4-chloro-2H-pyrrol-2-ol has a molecular weight of 117.53 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-pyrrol-2-ol is sourced from PubChem (CID 175058956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).