4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine

C9H18N2O — CID 99868085

IUPAC4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine
SMILESC[C@@H]1NCC[C@@H]1N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-8-9(2-3-10-8)11-4-6-12-7-5-11/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyZEIFKQPBVWHIHZ-IUCAKERBSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine

4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine (PubChem CID 99868085) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine
PubChem CID99868085
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine
SMILESC[C@@H]1NCC[C@@H]1N1CCOCC1
InChIInChI=1S/C9H18N2O/c1-8-9(2-3-10-8)11-4-6-12-7-5-11/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyZEIFKQPBVWHIHZ-IUCAKERBSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine (CID 99868085) is 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine is C[C@@H]1NCC[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine?
The InChIKey is ZEIFKQPBVWHIHZ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-9(2-3-10-8)11-4-6-12-7-5-11/h8-10H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine?
4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-2-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 99868085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).