N-pent-2-en-3-ylethanimine;yttrium

C7H11NY-2 — CID 59989676

IUPACN-pent-2-en-3-ylethanimine;yttrium
SMILESC/[C-]=N/C(=[C-]/C)CC.[Y]
InChIInChI=1S/C7H11N.Y/c1-4-7(5-2)8-6-3;/h4H2,1-3H3;/q-2;
InChIKeyPBRLAQKRUWGMGW-UHFFFAOYSA-N
MW198.08 g/mol
LogP2.07
Rot. Bonds2

About N-pent-2-en-3-ylethanimine;yttrium

N-pent-2-en-3-ylethanimine;yttrium (PubChem CID 59989676) has the molecular formula C7H11NY-2 and a molecular weight of 198.08 g/mol. Its IUPAC name is N-pent-2-en-3-ylethanimine;yttrium.

Molecular Properties

Compound NameN-pent-2-en-3-ylethanimine;yttrium
PubChem CID59989676
Molecular FormulaC7H11NY-2
Molecular Weight198.08 g/mol
Exact Mass198.00
IUPAC NameN-pent-2-en-3-ylethanimine;yttrium
SMILESC/[C-]=N/C(=[C-]/C)CC.[Y]
InChIInChI=1S/C7H11N.Y/c1-4-7(5-2)8-6-3;/h4H2,1-3H3;/q-2;
InChIKeyPBRLAQKRUWGMGW-UHFFFAOYSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 52.07
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-pent-2-en-3-ylethanimine;vanadium(2+)
CID 58760499
4,5-Dimethyl-2,3-dihydropyrrol-2-ide;yttrium
CID 59009700
N-(4-methylpent-2-en-2-yl)ethanimine;yttrium
CID 59148080
N-but-2-en-2-ylethanimine;yttrium
CID 59962030
5-ethyl-3,4-dihydro-2H-pyrrole-2,4-diide;rhenium;rutherfordium
CID 60044703
5-ethyl-3,4-dihydro-2H-pyrrole-2,4-diide;rhenium;rutherfordium
CID 60044706
carbanide;5-methyl-3,4-dihydro-2H-pyrrole-2,4-diide;rubidium(1+);tungsten(2+)
CID 60123495
N-but-2-en-2-ylethanimine;methane;yttrium
CID 157986825

Frequently Asked Questions

What is the IUPAC name of N-pent-2-en-3-ylethanimine;yttrium?
The IUPAC name of N-pent-2-en-3-ylethanimine;yttrium (CID 59989676) is N-pent-2-en-3-ylethanimine;yttrium.
What is the SMILES notation for N-pent-2-en-3-ylethanimine;yttrium?
The canonical SMILES for N-pent-2-en-3-ylethanimine;yttrium is C/[C-]=N/C(=[C-]/C)CC.[Y].
What is the InChIKey of N-pent-2-en-3-ylethanimine;yttrium?
The InChIKey is PBRLAQKRUWGMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.Y/c1-4-7(5-2)8-6-3;/h4H2,1-3H3;/q-2;.
What are the key properties of N-pent-2-en-3-ylethanimine;yttrium?
N-pent-2-en-3-ylethanimine;yttrium has a molecular weight of 198.08 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-3-ylethanimine;yttrium is sourced from PubChem (CID 59989676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).