6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione

C17H19NO4 — CID 134844674

IUPAC6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione
SMILESCC1(C)CC(=O)CC2(O1)C(=O)N1CCOC12c1ccccc1
InChIInChI=1S/C17H19NO4/c1-15(2)10-13(19)11-16(22-15)14(20)18-8-9-21-17(16,18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyAMHDMTTUIYZYQR-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.61
Rot. Bonds1

About 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione

6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione (PubChem CID 134844674) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione.

Molecular Properties

Compound Name6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione
PubChem CID134844674
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione
SMILESCC1(C)CC(=O)CC2(O1)C(=O)N1CCOC12c1ccccc1
InChIInChI=1S/C17H19NO4/c1-15(2)10-13(19)11-16(22-15)14(20)18-8-9-21-17(16,18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyAMHDMTTUIYZYQR-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione with MolForge

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Related Compounds

methyl (1R,2S,5R)-7-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 71600487
methyl (1S)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013448
methyl (5R)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013449
methyl (1S)-2-deuterio-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013522
methyl (5R)-2-deuterio-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135013523
methyl (1S,5S)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135066599
methyl (1R,5R)-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135066600
methyl (1R,5R)-7-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135066616
methyl (1R,5R)-5-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 135067390
6-Methyl-6-(2-methyl-4-oxo-5-phenyl-1,3-oxazolidin-3-yl)-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 272862
methyl (1R,5S,7R)-4-acetyl-3,3-dimethyl-7-phenyl-2,6-dioxa-4-azabicyclo[3.2.0]heptane-7-carboxylate
CID 640403
Methyl 4-acetyl-3,3-dimethyl-7-phenyl-2,6-dioxa-4-azabicyclo[3.2.0]heptane-7-carboxylate
CID 14041912

Frequently Asked Questions

What is the IUPAC name of 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione?
The IUPAC name of 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione (CID 134844674) is 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione.
What is the SMILES notation for 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione?
The canonical SMILES for 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione is CC1(C)CC(=O)CC2(O1)C(=O)N1CCOC12c1ccccc1.
What is the InChIKey of 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione?
The InChIKey is AMHDMTTUIYZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-15(2)10-13(19)11-16(22-15)14(20)18-8-9-21-17(16,18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione?
6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione has a molecular weight of 301.34 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6',6'-dimethyl-5-phenylspiro[4-oxa-1-azabicyclo[3.2.0]heptane-6,2'-oxane]-4',7-dione is sourced from PubChem (CID 134844674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).