4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile

C11H18BN3O — CID 145134659

IUPAC4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile
SMILESCCC1CN(C2CCB(C#N)CC2)C(=O)N1
InChIInChI=1S/C11H18BN3O/c1-2-9-7-15(11(16)14-9)10-3-5-12(8-13)6-4-10/h9-10H,2-7H2,1H3,(H,14,16)
InChIKeyBCIADSLKQXUQSW-UHFFFAOYSA-N
MW219.10 g/mol
LogP1.51
Rot. Bonds2

About 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile

4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile (PubChem CID 145134659) has the molecular formula C11H18BN3O and a molecular weight of 219.10 g/mol. Its IUPAC name is 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile.

Molecular Properties

Compound Name4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile
PubChem CID145134659
Molecular FormulaC11H18BN3O
Molecular Weight219.10 g/mol
Exact Mass219.15
IUPAC Name4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile
SMILESCCC1CN(C2CCB(C#N)CC2)C(=O)N1
InChIInChI=1S/C11H18BN3O/c1-2-9-7-15(11(16)14-9)10-3-5-12(8-13)6-4-10/h9-10H,2-7H2,1H3,(H,14,16)
InChIKeyBCIADSLKQXUQSW-UHFFFAOYSA-N
XLogP1.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979822
4-ethyl-1-piperidin-3-ylimidazolidin-2-one
CID 116979000
2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
CID 116979754
(4R)-1-cyclopentyl-4-(2-methylpropyl)imidazolidin-2-one
CID 141171803
1-(azetidin-3-yl)-4-propylimidazolidin-2-one
CID 116978882
4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979829
1-tert-butyl-4-ethylimidazolidin-2-one
CID 146336737
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
(3R)-3-cyclopropyl-5-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 155892044
(4S,6R)-6-ethyl-4-methylpiperidin-2-one
CID 129374994
(4S)-4-propylazetidin-2-one
CID 18603540

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile?
The IUPAC name of 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile (CID 145134659) is 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile.
What is the SMILES notation for 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile?
The canonical SMILES for 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile is CCC1CN(C2CCB(C#N)CC2)C(=O)N1.
What is the InChIKey of 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile?
The InChIKey is BCIADSLKQXUQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BN3O/c1-2-9-7-15(11(16)14-9)10-3-5-12(8-13)6-4-10/h9-10H,2-7H2,1H3,(H,14,16).
What are the key properties of 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile?
4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile has a molecular weight of 219.10 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile is sourced from PubChem (CID 145134659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).