N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine

C7H10N2 — CID 155053467

IUPACN-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C=C\N=C
InChIInChI=1S/C7H10N2/c1-4-7(2)9-6-5-8-3/h4-6H,1,3H2,2H3/b6-5-,9-7+
InChIKeyBMZKGGFUDBLRKW-BZWSEGBZSA-N
MW122.17 g/mol
LogP1.81
Rot. Bonds3

About N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine

N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine (PubChem CID 155053467) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine
PubChem CID155053467
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C=C\N=C
InChIInChI=1S/C7H10N2/c1-4-7(2)9-6-5-8-3/h4-6H,1,3H2,2H3/b6-5-,9-7+
InChIKeyBMZKGGFUDBLRKW-BZWSEGBZSA-N
XLogP1.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine?
The IUPAC name of N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine (CID 155053467) is N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine.
What is the SMILES notation for N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine?
The canonical SMILES for N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine is C=C/C(C)=N/C=C\N=C.
What is the InChIKey of N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine?
The InChIKey is BMZKGGFUDBLRKW-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-7(2)9-6-5-8-3/h4-6H,1,3H2,2H3/b6-5-,9-7+.
What are the key properties of N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine?
N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine has a molecular weight of 122.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(methylideneamino)ethenyl]but-3-en-2-imine is sourced from PubChem (CID 155053467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).