(Z)-N-methylbut-2-en-1-imine

C5H8N- — CID 91474772

IUPAC(Z)-N-methylbut-2-en-1-imine
SMILESC/C=C\[C-]=N\C
InChIInChI=1S/C5H8N/c1-3-4-5-6-2/h3-4H,1-2H3/q-1/b4-3-
InChIKeyYFJXRQMCDZKYQW-ARJAWSKDSA-N
MW82.13 g/mol
LogP1.14
Rot. Bonds1

About (Z)-N-methylbut-2-en-1-imine

(Z)-N-methylbut-2-en-1-imine (PubChem CID 91474772) has the molecular formula C5H8N- and a molecular weight of 82.13 g/mol. Its IUPAC name is (Z)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methylbut-2-en-1-imine
PubChem CID91474772
Molecular FormulaC5H8N-
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name(Z)-N-methylbut-2-en-1-imine
SMILESC/C=C\[C-]=N\C
InChIInChI=1S/C5H8N/c1-3-4-5-6-2/h3-4H,1-2H3/q-1/b4-3-
InChIKeyYFJXRQMCDZKYQW-ARJAWSKDSA-N
XLogP1.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(E)-5-Azahepta-2,4-diene
CID 5463161
N-methylbut-2-enimidoyl fluoride
CID 123871369
(Z)-N-ethylbut-2-enimidoyl fluoride
CID 134492872
(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride
CID 139386565
(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
CID 139386586
(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride
CID 142035102
(Z)-N-methylbut-2-enimidoyl fluoride
CID 143694284
(E)-N-propylbut-2-en-1-imine
CID 10866289
N-ethylbut-2-en-1-imine
CID 138000
(E)-N-methylbut-2-en-1-imine
CID 12475950
N-propylprop-2-en-1-imine
CID 21421897

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-N-methylbut-2-en-1-imine (CID 91474772) is (Z)-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-methylbut-2-en-1-imine is C/C=C\[C-]=N\C.
What is the InChIKey of (Z)-N-methylbut-2-en-1-imine?
The InChIKey is YFJXRQMCDZKYQW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8N/c1-3-4-5-6-2/h3-4H,1-2H3/q-1/b4-3-.
What are the key properties of (Z)-N-methylbut-2-en-1-imine?
(Z)-N-methylbut-2-en-1-imine has a molecular weight of 82.13 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 91474772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).