2-[(ethoxyamino)methylidene]propanedinitrile

C6H7N3O — CID 119098296

IUPAC2-[(ethoxyamino)methylidene]propanedinitrile
SMILESCCONC=C(C#N)C#N
InChIInChI=1S/C6H7N3O/c1-2-10-9-5-6(3-7)4-8/h5,9H,2H2,1H3
InChIKeyRGHAEWNBUABGTR-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.46
Rot. Bonds3

About 2-[(ethoxyamino)methylidene]propanedinitrile

2-[(ethoxyamino)methylidene]propanedinitrile (PubChem CID 119098296) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-[(ethoxyamino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(ethoxyamino)methylidene]propanedinitrile
PubChem CID119098296
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-[(ethoxyamino)methylidene]propanedinitrile
SMILESCCONC=C(C#N)C#N
InChIInChI=1S/C6H7N3O/c1-2-10-9-5-6(3-7)4-8/h5,9H,2H2,1H3
InChIKeyRGHAEWNBUABGTR-UHFFFAOYSA-N
XLogP0.46
TPSA68.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(ethoxyamino)methylidene]propanedinitrile?
The IUPAC name of 2-[(ethoxyamino)methylidene]propanedinitrile (CID 119098296) is 2-[(ethoxyamino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(ethoxyamino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(ethoxyamino)methylidene]propanedinitrile is CCONC=C(C#N)C#N.
What is the InChIKey of 2-[(ethoxyamino)methylidene]propanedinitrile?
The InChIKey is RGHAEWNBUABGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-10-9-5-6(3-7)4-8/h5,9H,2H2,1H3.
What are the key properties of 2-[(ethoxyamino)methylidene]propanedinitrile?
2-[(ethoxyamino)methylidene]propanedinitrile has a molecular weight of 137.14 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethoxyamino)methylidene]propanedinitrile is sourced from PubChem (CID 119098296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).