3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile

C10H17N3O — CID 62889484

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile
SMILESCN(C)CC1CCCN1C(=O)CC#N
InChIInChI=1S/C10H17N3O/c1-12(2)8-9-4-3-7-13(9)10(14)5-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeyCPSVEMZMBRCLHW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile (PubChem CID 62889484) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile
PubChem CID62889484
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile
SMILESCN(C)CC1CCCN1C(=O)CC#N
InChIInChI=1S/C10H17N3O/c1-12(2)8-9-4-3-7-13(9)10(14)5-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeyCPSVEMZMBRCLHW-UHFFFAOYSA-N
XLogP0.45
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile (CID 62889484) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile is CN(C)CC1CCCN1C(=O)CC#N.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile?
The InChIKey is CPSVEMZMBRCLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12(2)8-9-4-3-7-13(9)10(14)5-6-11/h9H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile has a molecular weight of 195.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 62889484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).