2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile

C9H16N2O — CID 130667119

IUPAC2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCO[C@@H]1CCN(C(C)(C)C#N)C1
InChIInChI=1S/C9H16N2O/c1-9(2,7-10)11-5-4-8(6-11)12-3/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyFRYBSKITXCPTPS-MRVPVSSYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile

2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile (PubChem CID 130667119) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
PubChem CID130667119
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCO[C@@H]1CCN(C(C)(C)C#N)C1
InChIInChI=1S/C9H16N2O/c1-9(2,7-10)11-5-4-8(6-11)12-3/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyFRYBSKITXCPTPS-MRVPVSSYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 130668061
2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 130677391
4-methoxy-2-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
CID 103531700
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
CID 131160202
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile
CID 126992515
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
2-cyclopropyl-3-methoxy-2-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103531648
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
4-methoxy-1-(2-methylpentan-2-yl)piperidine
CID 146178496
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxymethanimine
CID 129267612

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile (CID 130667119) is 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile is CO[C@@H]1CCN(C(C)(C)C#N)C1.
What is the InChIKey of 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is FRYBSKITXCPTPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,7-10)11-5-4-8(6-11)12-3/h8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile?
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 130667119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).