N-methylbut-2-en-1-imine;yttrium

C5H8NY- — CID 58579755

IUPACN-methylbut-2-en-1-imine;yttrium
SMILESCC=C/[C-]=N/C.[Y]
InChIInChI=1S/C5H8N.Y/c1-3-4-5-6-2;/h3-4H,1-2H3;/q-1;
InChIKeyCHOJBVNLHBPZOR-UHFFFAOYSA-N
MW171.03 g/mol
LogP1.14
Rot. Bonds1

About N-methylbut-2-en-1-imine;yttrium

N-methylbut-2-en-1-imine;yttrium (PubChem CID 58579755) has the molecular formula C5H8NY- and a molecular weight of 171.03 g/mol. Its IUPAC name is N-methylbut-2-en-1-imine;yttrium.

Molecular Properties

Compound NameN-methylbut-2-en-1-imine;yttrium
PubChem CID58579755
Molecular FormulaC5H8NY-
Molecular Weight171.03 g/mol
Exact Mass170.97
IUPAC NameN-methylbut-2-en-1-imine;yttrium
SMILESCC=C/[C-]=N/C.[Y]
InChIInChI=1S/C5H8N.Y/c1-3-4-5-6-2;/h3-4H,1-2H3;/q-1;
InChIKeyCHOJBVNLHBPZOR-UHFFFAOYSA-N
XLogP1.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
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)-5-Azahepta-2,4-diene
CID 5463161
N-methylbut-2-enimidoyl fluoride
CID 123871369
(Z)-N-ethylbut-2-enimidoyl fluoride
CID 134492872
(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
(Z)-N-methylbut-2-en-1-imine
CID 53971588
N-methylbut-2-en-1-imine
CID 53971589
(1E)-N-Propylbut-2-en-1-imine
CID 54505168
CID 58579792
CID 58579792
(Z)-N-methylbut-2-enimidoyl bromide
CID 90070775

Frequently Asked Questions

What is the IUPAC name of N-methylbut-2-en-1-imine;yttrium?
The IUPAC name of N-methylbut-2-en-1-imine;yttrium (CID 58579755) is N-methylbut-2-en-1-imine;yttrium.
What is the SMILES notation for N-methylbut-2-en-1-imine;yttrium?
The canonical SMILES for N-methylbut-2-en-1-imine;yttrium is CC=C/[C-]=N/C.[Y].
What is the InChIKey of N-methylbut-2-en-1-imine;yttrium?
The InChIKey is CHOJBVNLHBPZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N.Y/c1-3-4-5-6-2;/h3-4H,1-2H3;/q-1;.
What are the key properties of N-methylbut-2-en-1-imine;yttrium?
N-methylbut-2-en-1-imine;yttrium has a molecular weight of 171.03 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 N-methylbut-2-en-1-imine;yttrium is sourced from PubChem (CID 58579755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).