(4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H25NO3 — CID 11311677

IUPAC(4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC/C=C(\C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO3/c1-5-6-7-8-9-12(4)14(17)16-13(11(2)3)10-19-15(16)18/h9,11,13H,5-8,10H2,1-4H3/b12-9+/t13-/m1/s1
InChIKeyYHVQPSUTWQCWGO-CNELAYHGSA-N
MW267.37 g/mol
LogP3.52
Rot. Bonds6

About (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11311677) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11311677
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC/C=C(\C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO3/c1-5-6-7-8-9-12(4)14(17)16-13(11(2)3)10-19-15(16)18/h9,11,13H,5-8,10H2,1-4H3/b12-9+/t13-/m1/s1
InChIKeyYHVQPSUTWQCWGO-CNELAYHGSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11311677) is (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCC/C=C(\C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YHVQPSUTWQCWGO-CNELAYHGSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-6-7-8-9-12(4)14(17)16-13(11(2)3)10-19-15(16)18/h9,11,13H,5-8,10H2,1-4H3/b12-9+/t13-/m1/s1.
What are the key properties of (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-2-methyloct-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11311677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).