1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile

C9H12N4O — CID 91602269

IUPAC1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESCNCC(=O)N1C(C#N)CCC1C#N
InChIInChI=1S/C9H12N4O/c1-12-6-9(14)13-7(4-10)2-3-8(13)5-11/h7-8,12H,2-3,6H2,1H3
InChIKeyNMMONHKHMNAOMY-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.39
Rot. Bonds2

About 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile

1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile (PubChem CID 91602269) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile
PubChem CID91602269
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESCNCC(=O)N1C(C#N)CCC1C#N
InChIInChI=1S/C9H12N4O/c1-12-6-9(14)13-7(4-10)2-3-8(13)5-11/h7-8,12H,2-3,6H2,1H3
InChIKeyNMMONHKHMNAOMY-UHFFFAOYSA-N
XLogP-0.39
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile?
The IUPAC name of 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile (CID 91602269) is 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile is CNCC(=O)N1C(C#N)CCC1C#N.
What is the InChIKey of 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile?
The InChIKey is NMMONHKHMNAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-12-6-9(14)13-7(4-10)2-3-8(13)5-11/h7-8,12H,2-3,6H2,1H3.
What are the key properties of 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile?
1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile has a molecular weight of 192.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 91602269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).