2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile

C8H14N3O2P — CID 14976317

IUPAC2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile
SMILESCCOP(C)(=O)C(C#N)=C1NCCN1
InChIInChI=1S/C8H14N3O2P/c1-3-13-14(2,12)7(6-9)8-10-4-5-11-8/h10-11H,3-5H2,1-2H3
InChIKeyVKVVRZMQIRKFFE-UHFFFAOYSA-N
MW215.19 g/mol
LogP0.82
Rot. Bonds3

About 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile

2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile (PubChem CID 14976317) has the molecular formula C8H14N3O2P and a molecular weight of 215.19 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile
PubChem CID14976317
Molecular FormulaC8H14N3O2P
Molecular Weight215.19 g/mol
Exact Mass215.08
IUPAC Name2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile
SMILESCCOP(C)(=O)C(C#N)=C1NCCN1
InChIInChI=1S/C8H14N3O2P/c1-3-13-14(2,12)7(6-9)8-10-4-5-11-8/h10-11H,3-5H2,1-2H3
InChIKeyVKVVRZMQIRKFFE-UHFFFAOYSA-N
XLogP0.82
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
2-(diethoxyphosphorylmethyl)prop-2-enenitrile
CID 10655750
(E)-3,4-dichloro-2-diethoxyphosphoryl-4,4-difluorobut-2-enenitrile
CID 23421980
bis(diethoxyphosphoryl)methanimine
CID 87803281
1-chloro-1-diethoxyphosphorylethene
CID 11481045
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
2-[1,3-bis[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]-2-diethoxyphosphorylacetonitrile
CID 25001984
cyclohexylidene(diethoxyphosphoryl)methanamine
CID 21082823
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
diethyl hydrogen phosphate;piperazine
CID 175366394
diethyl hydrogen phosphate;scandium
CID 54607585
2-diethoxyphosphorylpent-1-ene
CID 11844671

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile (CID 14976317) is 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile is CCOP(C)(=O)C(C#N)=C1NCCN1.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile?
The InChIKey is VKVVRZMQIRKFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O2P/c1-3-13-14(2,12)7(6-9)8-10-4-5-11-8/h10-11H,3-5H2,1-2H3.
What are the key properties of 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile?
2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile has a molecular weight of 215.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]-2-imidazolidin-2-ylideneacetonitrile is sourced from PubChem (CID 14976317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).