N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C15H22N2O3 — CID 166281366

IUPACN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESC=C1C(NC(=O)CN2CCOC2=O)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H22N2O3/c1-9-11-6-10(15(11,2)3)7-12(9)16-13(18)8-17-4-5-20-14(17)19/h10-12H,1,4-8H2,2-3H3,(H,16,18)/t10-,11+,12?/m1/s1
InChIKeyFHSPFEJNEGYJAU-UBNQGINQSA-N
MW278.35 g/mol
LogP1.55
Rot. Bonds3

About N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 166281366) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID166281366
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESC=C1C(NC(=O)CN2CCOC2=O)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H22N2O3/c1-9-11-6-10(15(11,2)3)7-12(9)16-13(18)8-17-4-5-20-14(17)19/h10-12H,1,4-8H2,2-3H3,(H,16,18)/t10-,11+,12?/m1/s1
InChIKeyFHSPFEJNEGYJAU-UBNQGINQSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 166281366) is N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is C=C1C(NC(=O)CN2CCOC2=O)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is FHSPFEJNEGYJAU-UBNQGINQSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-11-6-10(15(11,2)3)7-12(9)16-13(18)8-17-4-5-20-14(17)19/h10-12H,1,4-8H2,2-3H3,(H,16,18)/t10-,11+,12?/m1/s1.
What are the key properties of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 166281366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).