2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile

C11H17N3O2 — CID 7180691

IUPAC2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESCC(C)CC[C@@]1(C)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C11H17N3O2/c1-8(2)4-5-11(3)9(15)14(7-6-12)10(16)13-11/h8H,4-5,7H2,1-3H3,(H,13,16)/t11-/m1/s1
InChIKeyULRSTYLCDMFSKG-LLVKDONJSA-N
MW223.28 g/mol
LogP1.26
Rot. Bonds4

About 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile

2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile (PubChem CID 7180691) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
PubChem CID7180691
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESCC(C)CC[C@@]1(C)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C11H17N3O2/c1-8(2)4-5-11(3)9(15)14(7-6-12)10(16)13-11/h8H,4-5,7H2,1-3H3,(H,13,16)/t11-/m1/s1
InChIKeyULRSTYLCDMFSKG-LLVKDONJSA-N
XLogP1.26
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7180650
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7180641
N-(4-cyanophenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2084582
(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7180813
(5S)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 33292692
(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 94812862
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 16583784
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
(5S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 94026656

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile (CID 7180691) is 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile is CC(C)CC[C@@]1(C)NC(=O)N(CC#N)C1=O.
What is the InChIKey of 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The InChIKey is ULRSTYLCDMFSKG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)4-5-11(3)9(15)14(7-6-12)10(16)13-11/h8H,4-5,7H2,1-3H3,(H,13,16)/t11-/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile has a molecular weight of 223.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 7180691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).