3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile

C14H15N3O2 — CID 7595269

IUPAC3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CCC#N)C1=O
InChIInChI=1S/C14H15N3O2/c1-2-14(11-7-4-3-5-8-11)12(18)17(10-6-9-15)13(19)16-14/h3-5,7-8H,2,6,10H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyRKFUNECJAZCXRC-CQSZACIVSA-N
MW257.29 g/mol
LogP1.76
Rot. Bonds4

About 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile

3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile (PubChem CID 7595269) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
PubChem CID7595269
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CCC#N)C1=O
InChIInChI=1S/C14H15N3O2/c1-2-14(11-7-4-3-5-8-11)12(18)17(10-6-9-15)13(19)16-14/h3-5,7-8H,2,6,10H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyRKFUNECJAZCXRC-CQSZACIVSA-N
XLogP1.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 82148616
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
3-[3-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]indol-1-yl]propanenitrile
CID 7175021
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
3-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 95264677
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
5-ethyl-5-phenyl-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71954685
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
N-(2-cyanoethyl)-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2099551
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
(5S)-5-ethyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41253437

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile?
The IUPAC name of 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile (CID 7595269) is 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile is CC[C@]1(c2ccccc2)NC(=O)N(CCC#N)C1=O.
What is the InChIKey of 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile?
The InChIKey is RKFUNECJAZCXRC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-14(11-7-4-3-5-8-11)12(18)17(10-6-9-15)13(19)16-14/h3-5,7-8H,2,6,10H2,1H3,(H,16,19)/t14-/m1/s1.
What are the key properties of 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile?
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile has a molecular weight of 257.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 7595269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).