(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one

C7H11NO2 — CID 57463978

IUPAC(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=C(C)C[C@H]1COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-5(2)3-6-4-10-7(9)8-6/h6H,1,3-4H2,2H3,(H,8,9)/t6-/m0/s1
InChIKeyBKMPFULGBQVXDH-LURJTMIESA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds2

About (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one

(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 57463978) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID57463978
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=C(C)C[C@H]1COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-5(2)3-6-4-10-7(9)8-6/h6H,1,3-4H2,2H3,(H,8,9)/t6-/m0/s1
InChIKeyBKMPFULGBQVXDH-LURJTMIESA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one (CID 57463978) is (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one is C=C(C)C[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is BKMPFULGBQVXDH-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)3-6-4-10-7(9)8-6/h6H,1,3-4H2,2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).