(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one

C11H17NO4 — CID 10728002

IUPAC(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)CCN1C(=O)OC[C@@H]1[C@@H](O)C=C
InChIInChI=1S/C11H17NO4/c1-3-8(13)5-6-12-9(10(14)4-2)7-16-11(12)15/h3-4,8-10,13-14H,1-2,5-7H2/t8-,9-,10+/m1/s1
InChIKeyLSSLVILLJVAKFC-BBBLOLIVSA-N
MW227.26 g/mol
LogP0.29
Rot. Bonds6

About (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one

(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 10728002) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
PubChem CID10728002
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)CCN1C(=O)OC[C@@H]1[C@@H](O)C=C
InChIInChI=1S/C11H17NO4/c1-3-8(13)5-6-12-9(10(14)4-2)7-16-11(12)15/h3-4,8-10,13-14H,1-2,5-7H2/t8-,9-,10+/m1/s1
InChIKeyLSSLVILLJVAKFC-BBBLOLIVSA-N
XLogP0.29
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one (CID 10728002) is (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one is C=C[C@@H](O)CCN1C(=O)OC[C@@H]1[C@@H](O)C=C.
What is the InChIKey of (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is LSSLVILLJVAKFC-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-8(13)5-6-12-9(10(14)4-2)7-16-11(12)15/h3-4,8-10,13-14H,1-2,5-7H2/t8-,9-,10+/m1/s1.
What are the key properties of (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one?
(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 227.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10728002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).