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

C9H18N2O — CID 99868084

IUPAC4-[(2R,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+/m1/s1
InChIKeyZEIFKQPBVWHIHZ-BDAKNGLRSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

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

4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine (PubChem CID 99868084) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine
PubChem CID99868084
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-[(2R,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+/m1/s1
InChIKeyZEIFKQPBVWHIHZ-BDAKNGLRSA-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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Related Compounds

4-(2-methylpyrrolidin-3-yl)morpholine
CID 71669026
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine
CID 129321005
2,2-dimethyl-4-(2-methylpyrrolidin-3-yl)morpholine
CID 130546000
1-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 44827712
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
4-[(2-methylpyrrolidin-3-yl)methyl]-1,4-oxazepane
CID 79384136
3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine
CID 79384338
4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine
CID 69237762
4-(5,6-dimethylpiperidin-3-yl)morpholine
CID 130560218
4-cyclopropylmorpholine;ethane
CID 155594914
2-morpholin-4-ylcyclopropane-1-carboxylic acid
CID 117029758

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine (CID 99868084) is 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine is C[C@H]1NCC[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine?
The InChIKey is ZEIFKQPBVWHIHZ-BDAKNGLRSA-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+/m1/s1.
What are the key properties of 4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine?
4-[(2R,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-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 99868084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).