3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one

C11H17NO3 — CID 166444313

IUPAC3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/CCC(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h4-5H,2-3,6-9H2,1H3/b5-4+
InChIKeyGXTFTDPPFJZHGN-SNAWJCMRSA-N
MW211.26 g/mol
LogP2.10
Rot. Bonds5

About 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one

3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 166444313) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID166444313
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/CCC(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h4-5H,2-3,6-9H2,1H3/b5-4+
InChIKeyGXTFTDPPFJZHGN-SNAWJCMRSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
3-(2-Hexenoyl)-2-oxazolidinone
CID 10997691
(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
3-(Hex-2-enoyl)-1,3-oxazolidin-2-one
CID 71350120
3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-(2-Methylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 85727474
3-(2-Ethylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 102092257
3-[(Z)-hex-2-enoyl]-1,3-oxazolidin-2-one
CID 124514514
(4S)-3-[(2R)-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134997846
3-(8-Methylnon-7-enoyl)-1,3-oxazolidin-2-one
CID 85891880
3-(7-Methyloct-6-enoyl)-1,3-oxazolidin-2-one
CID 85891886
(4R)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10330792

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one (CID 166444313) is 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one is CCC/C=C/CCC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is GXTFTDPPFJZHGN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h4-5H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166444313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).