(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one

C16H27NO3 — CID 59891094

IUPAC(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-11-15(18)17-14(13(2)3)12-20-16(17)19/h4,13-14H,1,5-12H2,2-3H3/t14-/m1/s1
InChIKeyYPYDPVIACFWATA-CQSZACIVSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds9

About (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 59891094) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID59891094
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-11-15(18)17-14(13(2)3)12-20-16(17)19/h4,13-14H,1,5-12H2,2-3H3/t14-/m1/s1
InChIKeyYPYDPVIACFWATA-CQSZACIVSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 59891094) is (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCCCCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YPYDPVIACFWATA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-11-15(18)17-14(13(2)3)12-20-16(17)19/h4,13-14H,1,5-12H2,2-3H3/t14-/m1/s1.
What are the key properties of (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59891094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).