4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide

C15H17NO3 — CID 134859568

IUPAC4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide
SMILESO=C(Nc1ccccc1)C12CCC(O)C(CC1)C2=O
InChIInChI=1S/C15H17NO3/c17-12-7-9-15(8-6-11(12)13(15)18)14(19)16-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,16,19)
InChIKeyMIMABVZLWBXSRH-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.75
Rot. Bonds2

About 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide

4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide (PubChem CID 134859568) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide
PubChem CID134859568
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide
SMILESO=C(Nc1ccccc1)C12CCC(O)C(CC1)C2=O
InChIInChI=1S/C15H17NO3/c17-12-7-9-15(8-6-11(12)13(15)18)14(19)16-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,16,19)
InChIKeyMIMABVZLWBXSRH-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
cis-(1R,2S)-2-methyl-3-oxo-N,1-diphenylcyclopentane-1-carboxamide
CID 7458218
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-ethenylphenyl)-N-phenylcyclopropane-1-carboxamide
CID 154939079
(1S,4S)-N-[3-[[(1R,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl]amino]phenyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2129761
(1S,2S,4S)-2-bromo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 98514180
cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
CID 28765338
1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide
CID 167802535

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide (CID 134859568) is 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide is O=C(Nc1ccccc1)C12CCC(O)C(CC1)C2=O.
What is the InChIKey of 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is MIMABVZLWBXSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-12-7-9-15(8-6-11(12)13(15)18)14(19)16-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,16,19).
What are the key properties of 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide?
4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-oxo-N-phenylbicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 134859568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).