3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile

C14H23N3O2 — CID 63516487

IUPAC3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
SMILESCC(C)C(C#N)C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c1-11(2)13(9-15)14(18)17-4-3-12(10-17)16-5-7-19-8-6-16/h11-13H,3-8,10H2,1-2H3
InChIKeyCBYPIKQRKZLHTD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.72
Rot. Bonds3

About 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile

3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile (PubChem CID 63516487) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
PubChem CID63516487
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
SMILESCC(C)C(C#N)C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c1-11(2)13(9-15)14(18)17-4-3-12(10-17)16-5-7-19-8-6-16/h11-13H,3-8,10H2,1-2H3
InChIKeyCBYPIKQRKZLHTD-UHFFFAOYSA-N
XLogP0.72
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-3-methylbutanenitrile
CID 55164253
(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103929897
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
3-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 62974544
(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
CID 135200089
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 79193090
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile
CID 63516325
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 63516166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile?
The IUPAC name of 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile (CID 63516487) is 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile.
What is the SMILES notation for 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile?
The canonical SMILES for 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile is CC(C)C(C#N)C(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile?
The InChIKey is CBYPIKQRKZLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)13(9-15)14(18)17-4-3-12(10-17)16-5-7-19-8-6-16/h11-13H,3-8,10H2,1-2H3.
What are the key properties of 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile?
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile has a molecular weight of 265.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile is sourced from PubChem (CID 63516487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).