[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol

C10H20N2O2 — CID 88544492

IUPAC[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol
SMILESCC(C)=NOCCN1CCC[C@@H]1CO
InChIInChI=1S/C10H20N2O2/c1-9(2)11-14-7-6-12-5-3-4-10(12)8-13/h10,13H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySPXJOGSWQBHOHX-SNVBAGLBSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds5

About [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol (PubChem CID 88544492) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol
PubChem CID88544492
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol
SMILESCC(C)=NOCCN1CCC[C@@H]1CO
InChIInChI=1S/C10H20N2O2/c1-9(2)11-14-7-6-12-5-3-4-10(12)8-13/h10,13H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySPXJOGSWQBHOHX-SNVBAGLBSA-N
XLogP0.86
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol (CID 88544492) is [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol is CC(C)=NOCCN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol?
The InChIKey is SPXJOGSWQBHOHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)11-14-7-6-12-5-3-4-10(12)8-13/h10,13H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(propan-2-ylideneamino)oxyethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 88544492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).