(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one

C14H15NO2 — CID 95857513

IUPAC(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
SMILESO=C1C[C@@]2(C[C@H]3CC[C@@H]2N3)Oc2ccccc21
InChIInChI=1S/C14H15NO2/c16-11-8-14(7-9-5-6-13(14)15-9)17-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8H2/t9-,13+,14-/m1/s1
InChIKeyCFFZNYKUCHNBJR-BIGNPOOSSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds

About (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one

(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one (PubChem CID 95857513) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one.

Molecular Properties

Compound Name(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
PubChem CID95857513
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
SMILESO=C1C[C@@]2(C[C@H]3CC[C@@H]2N3)Oc2ccccc21
InChIInChI=1S/C14H15NO2/c16-11-8-14(7-9-5-6-13(14)15-9)17-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8H2/t9-,13+,14-/m1/s1
InChIKeyCFFZNYKUCHNBJR-BIGNPOOSSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one with MolForge

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Related Compounds

(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
CID 95857515
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
(1'S,2R,5'R,6'R)-4-oxo-N-propan-2-ylspiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 92580086
2-methylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,2'-3H-chromene]-4'-one
CID 18723438
N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 110213534
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
CID 114671506
spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]
CID 105468819
(1'R,2S,5'R,6'R)-N-cyclopentyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 98059258
ethyl (1'S,2S,5'R,6'R)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxylate
CID 124824195
3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114671419
(1'R,2R,5'R,6'R)-4-oxo-N-[(1S)-1-phenylethyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124824885
2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657

Frequently Asked Questions

What is the IUPAC name of (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
The IUPAC name of (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one (CID 95857513) is (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one.
What is the SMILES notation for (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
The canonical SMILES for (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one is O=C1C[C@@]2(C[C@H]3CC[C@@H]2N3)Oc2ccccc21.
What is the InChIKey of (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
The InChIKey is CFFZNYKUCHNBJR-BIGNPOOSSA-N. The full InChI is InChI=1S/C14H15NO2/c16-11-8-14(7-9-5-6-13(14)15-9)17-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8H2/t9-,13+,14-/m1/s1.
What are the key properties of (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
(1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2R,4'R)-spiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one is sourced from PubChem (CID 95857513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).