(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one

C7H11NO3 — CID 91982680

IUPAC(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C7H11NO3/c1-2-3-6(9)5-4-11-7(10)8-5/h2-3,5-6,9H,4H2,1H3,(H,8,10)/b3-2+/t5-,6+/m0/s1
InChIKeyDNVLPZUOEMNHDR-KFBNRENSSA-N
MW157.17 g/mol
LogP0.03
Rot. Bonds2

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

(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 91982680) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one
PubChem CID91982680
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C7H11NO3/c1-2-3-6(9)5-4-11-7(10)8-5/h2-3,5-6,9H,4H2,1H3,(H,8,10)/b3-2+/t5-,6+/m0/s1
InChIKeyDNVLPZUOEMNHDR-KFBNRENSSA-N
XLogP0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.03
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-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one (CID 91982680) is (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one is C/C=C/[C@@H](O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is DNVLPZUOEMNHDR-KFBNRENSSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-6(9)5-4-11-7(10)8-5/h2-3,5-6,9H,4H2,1H3,(H,8,10)/b3-2+/t5-,6+/m0/s1.
What are the key properties of (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one?
(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91982680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).