(Z)-N-(methylideneamino)but-3-en-2-imine

C5H8N2 — CID 123235248

IUPAC(Z)-N-(methylideneamino)but-3-en-2-imine
SMILESC=C/C(C)=N\N=C
InChIInChI=1S/C5H8N2/c1-4-5(2)7-6-3/h4H,1,3H2,2H3/b7-5-
InChIKeyCMSXSTXXPISKEI-ALCCZGGFSA-N
MW96.13 g/mol
LogP1.25
Rot. Bonds2

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

(Z)-N-(methylideneamino)but-3-en-2-imine (PubChem CID 123235248) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)but-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)but-3-en-2-imine
PubChem CID123235248
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name(Z)-N-(methylideneamino)but-3-en-2-imine
SMILESC=C/C(C)=N\N=C
InChIInChI=1S/C5H8N2/c1-4-5(2)7-6-3/h4H,1,3H2,2H3/b7-5-
InChIKeyCMSXSTXXPISKEI-ALCCZGGFSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (Z)-N-(methylideneamino)but-3-en-2-imine?
The IUPAC name of (Z)-N-(methylideneamino)but-3-en-2-imine (CID 123235248) is (Z)-N-(methylideneamino)but-3-en-2-imine.
What is the SMILES notation for (Z)-N-(methylideneamino)but-3-en-2-imine?
The canonical SMILES for (Z)-N-(methylideneamino)but-3-en-2-imine is C=C/C(C)=N\N=C.
What is the InChIKey of (Z)-N-(methylideneamino)but-3-en-2-imine?
The InChIKey is CMSXSTXXPISKEI-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-5(2)7-6-3/h4H,1,3H2,2H3/b7-5-.
What are the key properties of (Z)-N-(methylideneamino)but-3-en-2-imine?
(Z)-N-(methylideneamino)but-3-en-2-imine has a molecular weight of 96.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)but-3-en-2-imine is sourced from PubChem (CID 123235248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).