(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile

C7H12N2O — CID 167468907

IUPAC(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
SMILESCN1CC[C@@](C#N)(CO)C1
InChIInChI=1S/C7H12N2O/c1-9-3-2-7(4-8,5-9)6-10/h10H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyROJPYTZPXBYLEX-ZETCQYMHSA-N
MW140.19 g/mol
LogP-0.18
Rot. Bonds1

About (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile

(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile (PubChem CID 167468907) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
PubChem CID167468907
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
SMILESCN1CC[C@@](C#N)(CO)C1
InChIInChI=1S/C7H12N2O/c1-9-3-2-7(4-8,5-9)6-10/h10H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyROJPYTZPXBYLEX-ZETCQYMHSA-N
XLogP-0.18
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-Fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 131153866
(1,3-Dimethylpyrrolidin-3-yl)methanol
CID 21702792
1,4,4-Trimethylpyrrolidin-2-ol
CID 69627172
3-(Hydroxymethyl)pyrrolidine-3-carbonitrile
CID 83854259
[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol
CID 129297479
1,3,3-Trimethylpyrrolidin-2-ol
CID 147080628
(3S)-3-(hydroxymethyl)pyrrolidine-3-carbonitrile
CID 167468360
3-(Hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468472
Potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate
CID 167468492
3-(Methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675075
3-(Aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675140
(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176690442

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile (CID 167468907) is (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile is CN1CC[C@@](C#N)(CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile?
The InChIKey is ROJPYTZPXBYLEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-3-2-7(4-8,5-9)6-10/h10H,2-3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile?
(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 167468907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).