(4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one

C8H13NO3 — CID 54753958

IUPAC(4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one
SMILESC=CCC(CO)[C@H]1COC(=O)N1
InChIInChI=1S/C8H13NO3/c1-2-3-6(4-10)7-5-12-8(11)9-7/h2,6-7,10H,1,3-5H2,(H,9,11)/t6?,7-/m1/s1
InChIKeyDDKGXWJXUYSNDH-COBSHVIPSA-N
MW171.20 g/mol
LogP0.28
Rot. Bonds4

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

(4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 54753958) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID54753958
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one
SMILESC=CCC(CO)[C@H]1COC(=O)N1
InChIInChI=1S/C8H13NO3/c1-2-3-6(4-10)7-5-12-8(11)9-7/h2,6-7,10H,1,3-5H2,(H,9,11)/t6?,7-/m1/s1
InChIKeyDDKGXWJXUYSNDH-COBSHVIPSA-N
XLogP0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one (CID 54753958) is (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one is C=CCC(CO)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is DDKGXWJXUYSNDH-COBSHVIPSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-6(4-10)7-5-12-8(11)9-7/h2,6-7,10H,1,3-5H2,(H,9,11)/t6?,7-/m1/s1.
What are the key properties of (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-1-hydroxypent-4-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54753958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).