(4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C10H17NO3 — CID 10352734

IUPAC(4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC/C=C(\O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h5,7-8,12H,4,6H2,1-3H3/b9-5-/t8-/m1/s1
InChIKeyPJQBNECROAPVEF-CPJBWDMUSA-N
MW199.25 g/mol
LogP2.27
Rot. Bonds3

About (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10352734) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10352734
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC/C=C(\O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h5,7-8,12H,4,6H2,1-3H3/b9-5-/t8-/m1/s1
InChIKeyPJQBNECROAPVEF-CPJBWDMUSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10352734) is (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC/C=C(\O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PJQBNECROAPVEF-CPJBWDMUSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h5,7-8,12H,4,6H2,1-3H3/b9-5-/t8-/m1/s1.
What are the key properties of (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z)-1-hydroxybut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10352734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).