3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one

C12H21NO2 — CID 162720047

IUPAC3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C(C)=C/CN1CCOC1=O
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-11(2)7-8-13-9-10-15-12(13)14/h7H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyBQMQFCQCYKFYLB-YRNVUSSQSA-N
MW211.30 g/mol
LogP2.97
Rot. Bonds6

About 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one

3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 162720047) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one
PubChem CID162720047
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C(C)=C/CN1CCOC1=O
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-11(2)7-8-13-9-10-15-12(13)14/h7H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyBQMQFCQCYKFYLB-YRNVUSSQSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one (CID 162720047) is 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one is CCCCC/C(C)=C/CN1CCOC1=O.
What is the InChIKey of 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is BQMQFCQCYKFYLB-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-6-11(2)7-8-13-9-10-15-12(13)14/h7H,3-6,8-10H2,1-2H3/b11-7+.
What are the key properties of 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one?
3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methyloct-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162720047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).