(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile

C10H17N3O — CID 11564638

IUPAC(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C10H17N3O/c11-9-13-3-1-2-10(13)8-12-4-6-14-7-5-12/h10H,1-8H2/t10-/m0/s1
InChIKeyMIZNTRHXYFQTGS-JTQLQIEISA-N
MW195.27 g/mol
LogP0.26
Rot. Bonds2

About (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile

(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile (PubChem CID 11564638) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile
PubChem CID11564638
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C10H17N3O/c11-9-13-3-1-2-10(13)8-12-4-6-14-7-5-12/h10H,1-8H2/t10-/m0/s1
InChIKeyMIZNTRHXYFQTGS-JTQLQIEISA-N
XLogP0.26
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
(S)-4-(pyrrolidin-2-ylmethyl)morpholine
CID 7141612
4-[(3S)-1-ethylpyrrolidin-3-yl]morpholine
CID 10607561
(R)-4-(Pyrrolidin-2-ylmethyl)morpholine
CID 7141610
4-[(1-Methylpyrrolidin-2-yl)methyl]morpholine
CID 13023581
4-{[(2S)-1-methylpyrrolidin-2-yl]methyl}morpholine
CID 13023582
4-(2-Pyrrolidin-1-ylethyl)morpholine
CID 14363793
4-(1-Methylpyrrolidin-3-yl)morpholine
CID 18723163
1-(2-Methoxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 53516152
4-[(1-Butylpyrrolidin-2-yl)methyl]morpholine
CID 54021094
4-[(3S)-1-methylpyrrolidin-3-yl]morpholine
CID 57691500
4-[(3R)-1-methylpyrrolidin-3-yl]morpholine
CID 57691578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile?
The IUPAC name of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile (CID 11564638) is (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile?
The canonical SMILES for (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile is N#CN1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile?
The InChIKey is MIZNTRHXYFQTGS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O/c11-9-13-3-1-2-10(13)8-12-4-6-14-7-5-12/h10H,1-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile?
(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 11564638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).