3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one

C11H17NO4 — CID 131887030

IUPAC3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
SMILESCOC=CCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO4/c1-15-8-5-3-2-4-6-10(13)12-7-9-16-11(12)14/h5,8H,2-4,6-7,9H2,1H3
InChIKeyOKWODQVYDCGFBQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.69
Rot. Bonds6

About 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one

3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one (PubChem CID 131887030) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
PubChem CID131887030
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
SMILESCOC=CCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO4/c1-15-8-5-3-2-4-6-10(13)12-7-9-16-11(12)14/h5,8H,2-4,6-7,9H2,1H3
InChIKeyOKWODQVYDCGFBQ-UHFFFAOYSA-N
XLogP1.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-(6-Methylhept-6-enoyl)-1,3-oxazolidin-2-one
CID 69202554
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
3-(2-Prop-2-enylhexanoyl)-1,3-oxazolidin-2-one
CID 85931226
3-(3,3-Dimethylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 135042937
3-(7-Methyloct-6-enoyl)-1,3-oxazolidin-2-one
CID 85891886
3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one
CID 121011693
(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11032399
3-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443
3-(2-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972444
3-Hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22121321

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one (CID 131887030) is 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one is COC=CCCCCC(=O)N1CCOC1=O.
What is the InChIKey of 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is OKWODQVYDCGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-8-5-3-2-4-6-10(13)12-7-9-16-11(12)14/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one?
3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 227.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxyhept-6-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131887030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).