2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one

C20H23NO3 — CID 157084836

IUPAC2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one
SMILESO=C1CC2(CO1)CC(C(=O)N1CCC3CC3(c3ccccc3)C1)C2
InChIInChI=1S/C20H23NO3/c22-17-11-19(13-24-17)8-14(9-19)18(23)21-7-6-16-10-20(16,12-21)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2
InChIKeyADYWHHPGPIHHAT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.52
Rot. Bonds2

About 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one

2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one (PubChem CID 157084836) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one
PubChem CID157084836
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one
SMILESO=C1CC2(CO1)CC(C(=O)N1CCC3CC3(c3ccccc3)C1)C2
InChIInChI=1S/C20H23NO3/c22-17-11-19(13-24-17)8-14(9-19)18(23)21-7-6-16-10-20(16,12-21)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2
InChIKeyADYWHHPGPIHHAT-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one with MolForge

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Related Compounds

2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163971145
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167615221
2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167665472
2-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167710242
2-[(3R,4R)-4-(4-tert-butylphenyl)-3-methylpiperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167671336
2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163411888
2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167645136
2-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163475194
2-[2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163887272
(1R,5R)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 102073453
(1S,5S)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 135055522

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one (CID 157084836) is 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one is O=C1CC2(CO1)CC(C(=O)N1CCC3CC3(c3ccccc3)C1)C2.
What is the InChIKey of 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one?
The InChIKey is ADYWHHPGPIHHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-17-11-19(13-24-17)8-14(9-19)18(23)21-7-6-16-10-20(16,12-21)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2.
What are the key properties of 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one?
2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one has a molecular weight of 325.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 157084836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).