4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile

C11H19N3O — CID 121275035

IUPAC4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile
SMILESCN(C)C[C@H]1CCCN1C(=O)CCC#N
InChIInChI=1S/C11H19N3O/c1-13(2)9-10-5-4-8-14(10)11(15)6-3-7-12/h10H,3-6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyIWXKLMWZVJMQKS-SNVBAGLBSA-N
MW209.29 g/mol
LogP0.84
Rot. Bonds4

About 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile

4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile (PubChem CID 121275035) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile.

Molecular Properties

Compound Name4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile
PubChem CID121275035
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile
SMILESCN(C)C[C@H]1CCCN1C(=O)CCC#N
InChIInChI=1S/C11H19N3O/c1-13(2)9-10-5-4-8-14(10)11(15)6-3-7-12/h10H,3-6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyIWXKLMWZVJMQKS-SNVBAGLBSA-N
XLogP0.84
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile?
The IUPAC name of 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile (CID 121275035) is 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile.
What is the SMILES notation for 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile?
The canonical SMILES for 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile is CN(C)C[C@H]1CCCN1C(=O)CCC#N.
What is the InChIKey of 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile?
The InChIKey is IWXKLMWZVJMQKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13(2)9-10-5-4-8-14(10)11(15)6-3-7-12/h10H,3-6,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile?
4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobutanenitrile is sourced from PubChem (CID 121275035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).