(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile

C8H14N2O — CID 176690442

IUPAC(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
SMILESCOC[C@@]1(C#N)CCN(C)C1
InChIInChI=1S/C8H14N2O/c1-10-4-3-8(5-9,6-10)7-11-2/h3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyMKVIQRSLWVPYEO-MRVPVSSYSA-N
MW154.21 g/mol
LogP0.48
Rot. Bonds2

About (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile

(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile (PubChem CID 176690442) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
PubChem CID176690442
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
SMILESCOC[C@@]1(C#N)CCN(C)C1
InChIInChI=1S/C8H14N2O/c1-10-4-3-8(5-9,6-10)7-11-2/h3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyMKVIQRSLWVPYEO-MRVPVSSYSA-N
XLogP0.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethyl)-1,3-dimethylpyrrolidine
CID 144754781
3-(Methoxymethyl)pyrrolidine-3-carbonitrile
CID 165463809
3-(Hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468472
Potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate
CID 167468492
(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile
CID 167468637
(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468907
1-Ethyl-3-(methoxymethyl)-3-methylpyrrolidine
CID 169619195
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine-3-carbonitrile
CID 172349693
1-[[1-(Methoxymethyl)cyclopropyl]methyl]pyrrolidine-3-carbonitrile
CID 172349694
3-(Methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675075
3-(Methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen
CID 176675117
3-(Aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675140

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile (CID 176690442) is (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile is COC[C@@]1(C#N)CCN(C)C1.
What is the InChIKey of (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The InChIKey is MKVIQRSLWVPYEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-4-3-8(5-9,6-10)7-11-2/h3-4,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile?
(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 176690442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).