5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile

C16H27N3O2 — CID 106804259

IUPAC5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1C(=O)CC(C)(C)C1=O)NC(C)C
InChIInChI=1S/C16H27N3O2/c1-6-16(11-17,18-12(2)3)8-7-9-19-13(20)10-15(4,5)14(19)21/h12,18H,6-10H2,1-5H3
InChIKeyJHQPCZJCKNPYIY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.22
Rot. Bonds7

About 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile

5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106804259) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106804259
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1C(=O)CC(C)(C)C1=O)NC(C)C
InChIInChI=1S/C16H27N3O2/c1-6-16(11-17,18-12(2)3)8-7-9-19-13(20)10-15(4,5)14(19)21/h12,18H,6-10H2,1-5H3
InChIKeyJHQPCZJCKNPYIY-UHFFFAOYSA-N
XLogP2.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Tert-butyl-1-[5-(tert-butylamino)pentyl]pyrrolidine-2,5-dione
CID 57817047
3-Tert-butyl-1-[4-(tert-butylamino)butyl]pyrrolidine-2,5-dione
CID 57817084
4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide
CID 155439881
3-(2,2-dimethylpropyl)-1-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]pyrrolidine-2,5-dione
CID 156331609
(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2,4-dimethylpentanamide
CID 160183172
4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide
CID 167250256
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
CID 167482147
4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide
CID 177369406
3,3-Diethyl-1-[4-(ethylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653804
3,3-Diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653815
N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164387
2-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-propylpentanamide
CID 61845397

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106804259) is 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCC(C#N)(CCCN1C(=O)CC(C)(C)C1=O)NC(C)C.
What is the InChIKey of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is JHQPCZJCKNPYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-16(11-17,18-12(2)3)8-7-9-19-13(20)10-15(4,5)14(19)21/h12,18H,6-10H2,1-5H3.
What are the key properties of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 293.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106804259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).