1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile

C10H17N3O — CID 85325233

IUPAC1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCCCNCC(=O)N1CCCC1C#N
InChIInChI=1S/C10H17N3O/c1-2-5-12-8-10(14)13-6-3-4-9(13)7-11/h9,12H,2-6,8H2,1H3
InChIKeyKBXXIYHLBDJZSW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile

1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 85325233) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID85325233
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCCCNCC(=O)N1CCCC1C#N
InChIInChI=1S/C10H17N3O/c1-2-5-12-8-10(14)13-6-3-4-9(13)7-11/h9,12H,2-6,8H2,1H3
InChIKeyKBXXIYHLBDJZSW-UHFFFAOYSA-N
XLogP0.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 142063765
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
1-(2-bromoacetyl)pyrrolidine-2-carbonitrile;propane
CID 142254427
N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
CID 66763203
(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 10987927
(2S)-1-[2-[[(3aR,6aS)-5-ethyl-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 143550239
oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 56670496
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-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
CID 68684792
(2S)-1-[2-(spiro[3.5]nonan-7-ylamino)acetyl]pyrrolidine-2-carbonitrile
CID 69315297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile (CID 85325233) is 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile is CCCNCC(=O)N1CCCC1C#N.
What is the InChIKey of 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is KBXXIYHLBDJZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-5-12-8-10(14)13-6-3-4-9(13)7-11/h9,12H,2-6,8H2,1H3.
What are the key properties of 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile?
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 85325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).