(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile

C10H18N2O — CID 167468637

IUPAC(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile
SMILESCC(C)OC[C@]1(C#N)CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-9(2)13-8-10(6-11)4-5-12(3)7-10/h9H,4-5,7-8H2,1-3H3/t10-/m0/s1
InChIKeyKIDIISXDCQQAAV-JTQLQIEISA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds3

About (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile

(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile (PubChem CID 167468637) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile
PubChem CID167468637
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile
SMILESCC(C)OC[C@]1(C#N)CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-9(2)13-8-10(6-11)4-5-12(3)7-10/h9H,4-5,7-8H2,1-3H3/t10-/m0/s1
InChIKeyKIDIISXDCQQAAV-JTQLQIEISA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
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-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile (CID 167468637) is (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile is CC(C)OC[C@]1(C#N)CCN(C)C1.
What is the InChIKey of (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile?
The InChIKey is KIDIISXDCQQAAV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)13-8-10(6-11)4-5-12(3)7-10/h9H,4-5,7-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile?
(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 167468637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).