3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one

C11H15NO2 — CID 102229995

IUPAC3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one
SMILESCC1=CC/C(=C/N2CCOC2=O)CC1
InChIInChI=1S/C11H15NO2/c1-9-2-4-10(5-3-9)8-12-6-7-14-11(12)13/h2,8H,3-7H2,1H3/b10-8-
InChIKeyCRMOKMRAVOSSPQ-NTMALXAHSA-N
MW193.25 g/mol
LogP2.45
Rot. Bonds1

About 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one

3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one (PubChem CID 102229995) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one
PubChem CID102229995
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one
SMILESCC1=CC/C(=C/N2CCOC2=O)CC1
InChIInChI=1S/C11H15NO2/c1-9-2-4-10(5-3-9)8-12-6-7-14-11(12)13/h2,8H,3-7H2,1H3/b10-8-
InChIKeyCRMOKMRAVOSSPQ-NTMALXAHSA-N
XLogP2.45
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 ≤ 52.45
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-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one (CID 102229995) is 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one is CC1=CC/C(=C/N2CCOC2=O)CC1.
What is the InChIKey of 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CRMOKMRAVOSSPQ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-2-4-10(5-3-9)8-12-6-7-14-11(12)13/h2,8H,3-7H2,1H3/b10-8-.
What are the key properties of 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one?
3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-methylcyclohex-3-en-1-ylidene)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102229995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).