2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one

C13H20N2O2 — CID 135989466

IUPAC2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one
SMILESCC(C)C1O/C(=N\C2CC3CCC2C3)NC1=O
InChIInChI=1S/C13H20N2O2/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-11H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyDWUSLTPXYKAKBH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one

2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one (PubChem CID 135989466) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one
PubChem CID135989466
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one
SMILESCC(C)C1O/C(=N\C2CC3CCC2C3)NC1=O
InChIInChI=1S/C13H20N2O2/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-11H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyDWUSLTPXYKAKBH-UHFFFAOYSA-N
XLogP1.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989729
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-tert-butyl-1,3-thiazolidin-4-one
CID 135989484
(5S)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one;(5R)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 158700064
2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-6,6-dimethyl-7-oxa-1-thia-3-azaspiro[4.4]nonan-4-one
CID 136503128
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503065
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
ethyl 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-1,4-dioxo-1,3-thiazolidine-5-carboxylate
CID 135989795
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(oxan-4-ylmethyl)-1,3-thiazolidin-4-one
CID 135989120
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one
CID 135989671
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1-methylpiperidin-4-yl)-1,3-thiazolidin-4-one
CID 136595644
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3-thiazolidin-4-one
CID 135989710

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one (CID 135989466) is 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one is CC(C)C1O/C(=N\C2CC3CCC2C3)NC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one?
The InChIKey is DWUSLTPXYKAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-11H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one?
2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one is sourced from PubChem (CID 135989466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).