(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide

C12H13NO2 — CID 165119310

IUPAC(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1[C@@H]2CCO[C@@H]21
InChIInChI=1S/C12H13NO2/c14-12(10-9-6-7-15-11(9)10)13-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,13,14)/t9-,10-,11-/m0/s1
InChIKeyAOCXUYFDUZBQBH-DCAQKATOSA-N
MW203.24 g/mol
LogP1.66
Rot. Bonds2

About (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide

(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 165119310) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID165119310
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1[C@@H]2CCO[C@@H]21
InChIInChI=1S/C12H13NO2/c14-12(10-9-6-7-15-11(9)10)13-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,13,14)/t9-,10-,11-/m0/s1
InChIKeyAOCXUYFDUZBQBH-DCAQKATOSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-phenyloxolane-2-carboxamide
CID 3453643
(1R,5R,6R)-N-(1-methylpyrazol-3-yl)-2-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 165119315
(2R,3S)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 1400202
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
(1S,2R,3R,4R)-3-(phenylcarbamoyl)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 27485869
(1R,5R,6R,7R)-7-(hydroxymethyl)-N-phenyl-3-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 155921384
(1R,2S,3R,4S)-2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11897377
(1S,2S,3S,4R)-3-(phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 1216637
(1R,2S,3R,4R)-3-(phenylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98524708

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 165119310) is (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1ccccc1)[C@H]1[C@@H]2CCO[C@@H]21.
What is the InChIKey of (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AOCXUYFDUZBQBH-DCAQKATOSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(10-9-6-7-15-11(9)10)13-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,13,14)/t9-,10-,11-/m0/s1.
What are the key properties of (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-N-phenyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 165119310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).