N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H13NO2 — CID 66396911

IUPACN-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1Cc2ccccc21
InChIInChI=1S/C15H13NO2/c17-12-7-5-11(6-8-12)16-15(18)14-9-10-3-1-2-4-13(10)14/h1-8,14,17H,9H2,(H,16,18)
InChIKeyXBEMIGCCAHIFOC-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.67
Rot. Bonds2

About N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66396911) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66396911
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1Cc2ccccc21
InChIInChI=1S/C15H13NO2/c17-12-7-5-11(6-8-12)16-15(18)14-9-10-3-1-2-4-13(10)14/h1-8,14,17H,9H2,(H,16,18)
InChIKeyXBEMIGCCAHIFOC-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394969
N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396655
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039
(7S)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95981281
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 4197491
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527090
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-(2-hydroxy-6-nitrophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 107681222

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66396911) is N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(Nc1ccc(O)cc1)C1Cc2ccccc21.
What is the InChIKey of N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is XBEMIGCCAHIFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-12-7-5-11(6-8-12)16-15(18)14-9-10-3-1-2-4-13(10)14/h1-8,14,17H,9H2,(H,16,18).
What are the key properties of N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66396911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).