5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide

C12H12ClNO2 — CID 115696810

IUPAC5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
SMILESO=C(NC1CC=CC1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H12ClNO2/c13-8-5-6-11(15)10(7-8)12(16)14-9-3-1-2-4-9/h1-2,5-7,9,15H,3-4H2,(H,14,16)
InChIKeyAINZRGIQQYHLOX-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.49
Rot. Bonds2

About 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide

5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide (PubChem CID 115696810) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
PubChem CID115696810
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
SMILESO=C(NC1CC=CC1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H12ClNO2/c13-8-5-6-11(15)10(7-8)12(16)14-9-3-1-2-4-9/h1-2,5-7,9,15H,3-4H2,(H,14,16)
InChIKeyAINZRGIQQYHLOX-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide (CID 115696810) is 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide is O=C(NC1CC=CC1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide?
The InChIKey is AINZRGIQQYHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-8-5-6-11(15)10(7-8)12(16)14-9-3-1-2-4-9/h1-2,5-7,9,15H,3-4H2,(H,14,16).
What are the key properties of 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide?
5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide has a molecular weight of 237.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide is sourced from PubChem (CID 115696810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).