2-(ethylideneamino)prop-2-enenitrile

C5H6N2 — CID 145493819

IUPAC2-(ethylideneamino)prop-2-enenitrile
SMILESC=C(C#N)/N=C/C
InChIInChI=1S/C5H6N2/c1-3-7-5(2)4-6/h3H,2H2,1H3/b7-3+
InChIKeyYNFFJUAKOIUMER-XVNBXDOJSA-N
MW94.12 g/mol
LogP1.11
Rot. Bonds1

About 2-(ethylideneamino)prop-2-enenitrile

2-(ethylideneamino)prop-2-enenitrile (PubChem CID 145493819) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-(ethylideneamino)prop-2-enenitrile.

Molecular Properties

Compound Name2-(ethylideneamino)prop-2-enenitrile
PubChem CID145493819
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-(ethylideneamino)prop-2-enenitrile
SMILESC=C(C#N)/N=C/C
InChIInChI=1S/C5H6N2/c1-3-7-5(2)4-6/h3H,2H2,1H3/b7-3+
InChIKeyYNFFJUAKOIUMER-XVNBXDOJSA-N
XLogP1.11
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)prop-2-enenitrile?
The IUPAC name of 2-(ethylideneamino)prop-2-enenitrile (CID 145493819) is 2-(ethylideneamino)prop-2-enenitrile.
What is the SMILES notation for 2-(ethylideneamino)prop-2-enenitrile?
The canonical SMILES for 2-(ethylideneamino)prop-2-enenitrile is C=C(C#N)/N=C/C.
What is the InChIKey of 2-(ethylideneamino)prop-2-enenitrile?
The InChIKey is YNFFJUAKOIUMER-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H6N2/c1-3-7-5(2)4-6/h3H,2H2,1H3/b7-3+.
What are the key properties of 2-(ethylideneamino)prop-2-enenitrile?
2-(ethylideneamino)prop-2-enenitrile has a molecular weight of 94.12 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)prop-2-enenitrile is sourced from PubChem (CID 145493819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).