3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one

C10H16BrNO2 — CID 134875204

IUPAC3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C(Br)=C/N1CCOC1=O
InChIInChI=1S/C10H16BrNO2/c1-2-3-4-5-9(11)8-12-6-7-14-10(12)13/h8H,2-7H2,1H3/b9-8-
InChIKeyKKLFGDFCAVUYIR-HJWRWDBZSA-N
MW262.15 g/mol
LogP3.26
Rot. Bonds5

About 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one

3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 134875204) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one
PubChem CID134875204
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C(Br)=C/N1CCOC1=O
InChIInChI=1S/C10H16BrNO2/c1-2-3-4-5-9(11)8-12-6-7-14-10(12)13/h8H,2-7H2,1H3/b9-8-
InChIKeyKKLFGDFCAVUYIR-HJWRWDBZSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one (CID 134875204) is 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one is CCCCC/C(Br)=C/N1CCOC1=O.
What is the InChIKey of 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is KKLFGDFCAVUYIR-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-2-3-4-5-9(11)8-12-6-7-14-10(12)13/h8H,2-7H2,1H3/b9-8-.
What are the key properties of 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one?
3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 262.15 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-bromohept-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134875204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).