N-ethenyl-2-methylidenebut-3-en-1-imine

C7H9N — CID 91316553

IUPACN-ethenyl-2-methylidenebut-3-en-1-imine
SMILESC=C/N=C/C(=C)C=C
InChIInChI=1S/C7H9N/c1-4-7(3)6-8-5-2/h4-6H,1-3H2/b8-6+
InChIKeyMACLUVSRWCBQOO-SOFGYWHQSA-N
MW107.16 g/mol
LogP1.94
Rot. Bonds3

About N-ethenyl-2-methylidenebut-3-en-1-imine

N-ethenyl-2-methylidenebut-3-en-1-imine (PubChem CID 91316553) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-ethenyl-2-methylidenebut-3-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-methylidenebut-3-en-1-imine
PubChem CID91316553
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-ethenyl-2-methylidenebut-3-en-1-imine
SMILESC=C/N=C/C(=C)C=C
InChIInChI=1S/C7H9N/c1-4-7(3)6-8-5-2/h4-6H,1-3H2/b8-6+
InChIKeyMACLUVSRWCBQOO-SOFGYWHQSA-N
XLogP1.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylidenebut-3-en-1-imine?
The IUPAC name of N-ethenyl-2-methylidenebut-3-en-1-imine (CID 91316553) is N-ethenyl-2-methylidenebut-3-en-1-imine.
What is the SMILES notation for N-ethenyl-2-methylidenebut-3-en-1-imine?
The canonical SMILES for N-ethenyl-2-methylidenebut-3-en-1-imine is C=C/N=C/C(=C)C=C.
What is the InChIKey of N-ethenyl-2-methylidenebut-3-en-1-imine?
The InChIKey is MACLUVSRWCBQOO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9N/c1-4-7(3)6-8-5-2/h4-6H,1-3H2/b8-6+.
What are the key properties of N-ethenyl-2-methylidenebut-3-en-1-imine?
N-ethenyl-2-methylidenebut-3-en-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylidenebut-3-en-1-imine is sourced from PubChem (CID 91316553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).