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

C11H15NO2 — CID 135060874

IUPAC3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1C=CCC/C1=C/N1CCOC1=O
InChIInChI=1S/C11H15NO2/c1-9-4-2-3-5-10(9)8-12-6-7-14-11(12)13/h2,4,8-9H,3,5-7H2,1H3/b10-8-/t9-/m1/s1
InChIKeyFHRBWYPRLALHGN-URLRMUCDSA-N
MW193.25 g/mol
LogP2.31
Rot. Bonds1

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

3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 135060874) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID135060874
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1C=CCC/C1=C/N1CCOC1=O
InChIInChI=1S/C11H15NO2/c1-9-4-2-3-5-10(9)8-12-6-7-14-11(12)13/h2,4,8-9H,3,5-7H2,1H3/b10-8-/t9-/m1/s1
InChIKeyFHRBWYPRLALHGN-URLRMUCDSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 135060874) is 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is C[C@@H]1C=CCC/C1=C/N1CCOC1=O.
What is the InChIKey of 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FHRBWYPRLALHGN-URLRMUCDSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-4-2-3-5-10(9)8-12-6-7-14-11(12)13/h2,4,8-9H,3,5-7H2,1H3/b10-8-/t9-/m1/s1.
What are the key properties of 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2R)-2-methylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135060874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).