N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide

C8H11N3O2 — CID 138723008

IUPACN-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
SMILESN#CC1CCCN1C(=O)CNC=O
InChIInChI=1S/C8H11N3O2/c9-4-7-2-1-3-11(7)8(13)5-10-6-12/h6-7H,1-3,5H2,(H,10,12)
InChIKeyHUWQVNDXMIQUHX-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.75
Rot. Bonds3

About N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide

N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide (PubChem CID 138723008) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
PubChem CID138723008
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
SMILESN#CC1CCCN1C(=O)CNC=O
InChIInChI=1S/C8H11N3O2/c9-4-7-2-1-3-11(7)8(13)5-10-6-12/h6-7H,1-3,5H2,(H,10,12)
InChIKeyHUWQVNDXMIQUHX-UHFFFAOYSA-N
XLogP-0.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
1-[2-[[5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-bicyclo[3.2.1]octanyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 143174590
1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 142063765
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
1-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
(2S)-1-[2-(spiro[3.5]nonan-7-ylamino)acetyl]pyrrolidine-2-carbonitrile
CID 69315297
(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 10987927
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 85349252
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 70020534

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide?
The IUPAC name of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide (CID 138723008) is N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide?
The canonical SMILES for N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide is N#CC1CCCN1C(=O)CNC=O.
What is the InChIKey of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide?
The InChIKey is HUWQVNDXMIQUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-4-7-2-1-3-11(7)8(13)5-10-6-12/h6-7H,1-3,5H2,(H,10,12).
What are the key properties of N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide?
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide has a molecular weight of 181.19 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide is sourced from PubChem (CID 138723008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).