2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile

C8H14N2O — CID 54012474

IUPAC2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile
SMILESCOC1C[C@@H](CC#N)N(C)C1
InChIInChI=1S/C8H14N2O/c1-10-6-8(11-2)5-7(10)3-4-9/h7-8H,3,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyKTHTUGIJQJICAR-GVHYBUMESA-N
MW154.21 g/mol
LogP0.62
Rot. Bonds2

About 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile

2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile (PubChem CID 54012474) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile
PubChem CID54012474
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile
SMILESCOC1C[C@@H](CC#N)N(C)C1
InChIInChI=1S/C8H14N2O/c1-10-6-8(11-2)5-7(10)3-4-9/h7-8H,3,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyKTHTUGIJQJICAR-GVHYBUMESA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile (CID 54012474) is 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile is COC1C[C@@H](CC#N)N(C)C1.
What is the InChIKey of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile?
The InChIKey is KTHTUGIJQJICAR-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-6-8(11-2)5-7(10)3-4-9/h7-8H,3,5-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile?
2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile is sourced from PubChem (CID 54012474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).