2-hydroxy-N-phenylcyclohexene-1-carboxamide

C13H15NO2 — CID 54697873

IUPAC2-hydroxy-N-phenylcyclohexene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCCC1
InChIInChI=1S/C13H15NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,14,16)
InChIKeyPJGFKAXFMKYMJB-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.01
Rot. Bonds2

About 2-hydroxy-N-phenylcyclohexene-1-carboxamide

2-hydroxy-N-phenylcyclohexene-1-carboxamide (PubChem CID 54697873) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-hydroxy-N-phenylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-phenylcyclohexene-1-carboxamide
PubChem CID54697873
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-hydroxy-N-phenylcyclohexene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCCC1
InChIInChI=1S/C13H15NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,14,16)
InChIKeyPJGFKAXFMKYMJB-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-phenylcyclohexene-1-carboxamide?
The IUPAC name of 2-hydroxy-N-phenylcyclohexene-1-carboxamide (CID 54697873) is 2-hydroxy-N-phenylcyclohexene-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-phenylcyclohexene-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-phenylcyclohexene-1-carboxamide is O=C(Nc1ccccc1)C1=C(O)CCCC1.
What is the InChIKey of 2-hydroxy-N-phenylcyclohexene-1-carboxamide?
The InChIKey is PJGFKAXFMKYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,14,16).
What are the key properties of 2-hydroxy-N-phenylcyclohexene-1-carboxamide?
2-hydroxy-N-phenylcyclohexene-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-phenylcyclohexene-1-carboxamide is sourced from PubChem (CID 54697873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).