(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one

C10H17NO2 — CID 100950588

IUPAC(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/[C@@H]1COC(=O)N1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-6-7-9-8-13-10(12)11-9/h6-7,9H,2-5,8H2,1H3,(H,11,12)/b7-6+/t9-/m1/s1
InChIKeyUIWARIMPZPTGCT-XCODYQFDSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds5

About (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one

(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 100950588) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
PubChem CID100950588
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/[C@@H]1COC(=O)N1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-6-7-9-8-13-10(12)11-9/h6-7,9H,2-5,8H2,1H3,(H,11,12)/b7-6+/t9-/m1/s1
InChIKeyUIWARIMPZPTGCT-XCODYQFDSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one (CID 100950588) is (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one is CCCCC/C=C/[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is UIWARIMPZPTGCT-XCODYQFDSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-6-7-9-8-13-10(12)11-9/h6-7,9H,2-5,8H2,1H3,(H,11,12)/b7-6+/t9-/m1/s1.
What are the key properties of (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100950588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).