2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine

C8H14N2O — CID 122551448

IUPAC2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine
SMILESC=C1CN[C@H](C2NCCO2)C1
InChIInChI=1S/C8H14N2O/c1-6-4-7(10-5-6)8-9-2-3-11-8/h7-10H,1-5H2/t7-,8?/m0/s1
InChIKeySHPOSPJUPBHYPE-JAMMHHFISA-N
MW154.21 g/mol
LogP-0.15
Rot. Bonds1

About 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine

2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine (PubChem CID 122551448) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine
PubChem CID122551448
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine
SMILESC=C1CN[C@H](C2NCCO2)C1
InChIInChI=1S/C8H14N2O/c1-6-4-7(10-5-6)8-9-2-3-11-8/h7-10H,1-5H2/t7-,8?/m0/s1
InChIKeySHPOSPJUPBHYPE-JAMMHHFISA-N
XLogP-0.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.15
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 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine?
The IUPAC name of 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine (CID 122551448) is 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine.
What is the SMILES notation for 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine?
The canonical SMILES for 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine is C=C1CN[C@H](C2NCCO2)C1.
What is the InChIKey of 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine?
The InChIKey is SHPOSPJUPBHYPE-JAMMHHFISA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-7(10-5-6)8-9-2-3-11-8/h7-10H,1-5H2/t7-,8?/m0/s1.
What are the key properties of 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine?
2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine has a molecular weight of 154.21 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine is sourced from PubChem (CID 122551448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).