(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile

C11H20N2O — CID 176721097

IUPAC(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile
SMILESCN1CC[C@@](C#N)(COC(C)(C)C)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)14-9-11(7-12)5-6-13(4)8-11/h5-6,8-9H2,1-4H3/t11-/m0/s1
InChIKeyAPPSPOBJJKZWJO-NSHDSACASA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds2

About (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile

(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile (PubChem CID 176721097) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile
PubChem CID176721097
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile
SMILESCN1CC[C@@](C#N)(COC(C)(C)C)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)14-9-11(7-12)5-6-13(4)8-11/h5-6,8-9H2,1-4H3/t11-/m0/s1
InChIKeyAPPSPOBJJKZWJO-NSHDSACASA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile (CID 176721097) is (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile is CN1CC[C@@](C#N)(COC(C)(C)C)C1.
What is the InChIKey of (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile?
The InChIKey is APPSPOBJJKZWJO-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)14-9-11(7-12)5-6-13(4)8-11/h5-6,8-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile?
(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 176721097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).