N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide

C11H20N2O2 — CID 134567703

IUPACN-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide
SMILESC=C[C@@H]1ON(CCCC)CC1NC(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-6-7-13-8-10(12-9(3)14)11(5-2)15-13/h5,10-11H,2,4,6-8H2,1,3H3,(H,12,14)/t10?,11-/m0/s1
InChIKeyRQPWAKRIPSZDPG-DTIOYNMSSA-N
MW212.29 g/mol
LogP1.09
Rot. Bonds5

About N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide

N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide (PubChem CID 134567703) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide
PubChem CID134567703
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide
SMILESC=C[C@@H]1ON(CCCC)CC1NC(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-6-7-13-8-10(12-9(3)14)11(5-2)15-13/h5,10-11H,2,4,6-8H2,1,3H3,(H,12,14)/t10?,11-/m0/s1
InChIKeyRQPWAKRIPSZDPG-DTIOYNMSSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide?
The IUPAC name of N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide (CID 134567703) is N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide?
The canonical SMILES for N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide is C=C[C@@H]1ON(CCCC)CC1NC(C)=O.
What is the InChIKey of N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide?
The InChIKey is RQPWAKRIPSZDPG-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-7-13-8-10(12-9(3)14)11(5-2)15-13/h5,10-11H,2,4,6-8H2,1,3H3,(H,12,14)/t10?,11-/m0/s1.
What are the key properties of N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide?
N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide has a molecular weight of 212.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-butyl-5-ethenyl-1,2-oxazolidin-4-yl]acetamide is sourced from PubChem (CID 134567703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).