3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

C12H17NO2 — CID 129396716

IUPAC3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1C=C[C@H](C)C/C1=C/N1CCOC1=O
InChIInChI=1S/C12H17NO2/c1-9-3-4-10(2)11(7-9)8-13-5-6-15-12(13)14/h3-4,8-10H,5-7H2,1-2H3/b11-8-/t9-,10+/m0/s1
InChIKeyNDBKGQZDACSTMZ-FVMLCQCVSA-N
MW207.27 g/mol
LogP2.55
Rot. Bonds1

About 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 129396716) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID129396716
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1C=C[C@H](C)C/C1=C/N1CCOC1=O
InChIInChI=1S/C12H17NO2/c1-9-3-4-10(2)11(7-9)8-13-5-6-15-12(13)14/h3-4,8-10H,5-7H2,1-2H3/b11-8-/t9-,10+/m0/s1
InChIKeyNDBKGQZDACSTMZ-FVMLCQCVSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 129396716) is 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is C[C@@H]1C=C[C@H](C)C/C1=C/N1CCOC1=O.
What is the InChIKey of 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NDBKGQZDACSTMZ-FVMLCQCVSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-3-4-10(2)11(7-9)8-13-5-6-15-12(13)14/h3-4,8-10H,5-7H2,1-2H3/b11-8-/t9-,10+/m0/s1.
What are the key properties of 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2R,5R)-2,5-dimethylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129396716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).