4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile

C13H21N3O2 — CID 66432127

IUPAC4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile
SMILESN#CC(CC(=O)N1CCCC1)NCC1CCCO1
InChIInChI=1S/C13H21N3O2/c14-9-11(15-10-12-4-3-7-18-12)8-13(17)16-5-1-2-6-16/h11-12,15H,1-8,10H2
InChIKeyMNRMIDYLHRFBJH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.66
Rot. Bonds5

About 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile

4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile (PubChem CID 66432127) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile.

Molecular Properties

Compound Name4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile
PubChem CID66432127
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile
SMILESN#CC(CC(=O)N1CCCC1)NCC1CCCO1
InChIInChI=1S/C13H21N3O2/c14-9-11(15-10-12-4-3-7-18-12)8-13(17)16-5-1-2-6-16/h11-12,15H,1-8,10H2
InChIKeyMNRMIDYLHRFBJH-UHFFFAOYSA-N
XLogP0.66
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile
CID 66431939
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
CID 61317504
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307
(2R)-1-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methylamino]propan-1-one
CID 1439822
2-(oxolan-2-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 82837199
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 91645723

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile?
The IUPAC name of 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile (CID 66432127) is 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile.
What is the SMILES notation for 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile?
The canonical SMILES for 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile is N#CC(CC(=O)N1CCCC1)NCC1CCCO1.
What is the InChIKey of 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile?
The InChIKey is MNRMIDYLHRFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-9-11(15-10-12-4-3-7-18-12)8-13(17)16-5-1-2-6-16/h11-12,15H,1-8,10H2.
What are the key properties of 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile?
4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile has a molecular weight of 251.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile is sourced from PubChem (CID 66432127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).