carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)

C5H8NTm — CID 163755455

IUPACcarbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)
SMILES[CH3-].[H]/[C-]=N/C(C)=[C-]/[H].[Tm+3]
InChIInChI=1S/C4H5N.CH3.Tm/c1-4(2)5-3;;/h1,3H,2H3;1H3;/q-2;-1;+3
InChIKeyAEHOOEGLBYESLQ-UHFFFAOYSA-N
MW251.06 g/mol
LogP1.35
Rot. Bonds1

About carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)

carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) (PubChem CID 163755455) has the molecular formula C5H8NTm and a molecular weight of 251.06 g/mol. Its IUPAC name is carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+).

Molecular Properties

Compound Namecarbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)
PubChem CID163755455
Molecular FormulaC5H8NTm
Molecular Weight251.06 g/mol
Exact Mass251.00
IUPAC Namecarbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)
SMILES[CH3-].[H]/[C-]=N/C(C)=[C-]/[H].[Tm+3]
InChIInChI=1S/C4H5N.CH3.Tm/c1-4(2)5-3;;/h1,3H,2H3;1H3;/q-2;-1;+3
InChIKeyAEHOOEGLBYESLQ-UHFFFAOYSA-N
XLogP1.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.06
LogP ≤ 51.35
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

N-prop-1-en-2-ylmethanimine
CID 19734183
N-but-2-en-2-ylmethanimine
CID 20732295
N-prop-1-en-2-ylmethanimine;tungsten(2+)
CID 20770482
N-but-1-en-2-ylmethanimine
CID 60089853
Methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
N-[(Z)-but-2-en-2-yl]methanimine
CID 141784510
prop-1-ene;N-prop-1-en-2-ylmethanimine
CID 143854713
N-[(E)-but-2-en-2-yl]methanimine
CID 143878098
ethane;N-prop-1-en-2-ylmethanimine
CID 143922364
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 172575931
3,5-Dimethyl-1,3-azaborole
CID 174146299
CID 53628174
CID 53628174

Frequently Asked Questions

What is the IUPAC name of carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?
The IUPAC name of carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) (CID 163755455) is carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+).
What is the SMILES notation for carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?
The canonical SMILES for carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) is [CH3-].[H]/[C-]=N/C(C)=[C-]/[H].[Tm+3].
What is the InChIKey of carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?
The InChIKey is AEHOOEGLBYESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.CH3.Tm/c1-4(2)5-3;;/h1,3H,2H3;1H3;/q-2;-1;+3.
What are the key properties of carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?
carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) has a molecular weight of 251.06 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) is sourced from PubChem (CID 163755455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).