2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone

C12H13NO2 — CID 170975673

IUPAC2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CC2(COC2)C1
InChIInChI=1S/C12H13NO2/c14-11(10-4-2-1-3-5-10)13-6-12(7-13)8-15-9-12/h1-5H,6-9H2
InChIKeyUSKRPROMDRVHPC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.16
Rot. Bonds1

About 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone

2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone (PubChem CID 170975673) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone.

Molecular Properties

Compound Name2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
PubChem CID170975673
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CC2(COC2)C1
InChIInChI=1S/C12H13NO2/c14-11(10-4-2-1-3-5-10)13-6-12(7-13)8-15-9-12/h1-5H,6-9H2
InChIKeyUSKRPROMDRVHPC-UHFFFAOYSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941
phenyl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 125009346
CID 88874654
CID 88874654
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
CID 98177898
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 71789520
(4-tert-butylphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 71789560
4-benzoylmorpholine-2,6-dione
CID 53273549
[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 90537444
methyl 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)benzoate
CID 71789547
phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone
CID 7648541
phenyl-[(1S,3R,6R)-spiro[7-oxabicyclo[4.1.0]heptane-3,3'-piperidine]-1'-yl]methanone
CID 102148328

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone?
The IUPAC name of 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone (CID 170975673) is 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone.
What is the SMILES notation for 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone?
The canonical SMILES for 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone is O=C(c1ccccc1)N1CC2(COC2)C1.
What is the InChIKey of 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone?
The InChIKey is USKRPROMDRVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11(10-4-2-1-3-5-10)13-6-12(7-13)8-15-9-12/h1-5H,6-9H2.
What are the key properties of 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone?
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone has a molecular weight of 203.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone is sourced from PubChem (CID 170975673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).