N-hept-2-en-3-ylethanimine;vanadium(2+)

C9H15NV — CID 23597523

IUPACN-hept-2-en-3-ylethanimine;vanadium(2+)
SMILESC/[C-]=N/C(=[C-]/C)CCCC.[V+2]
InChIInChI=1S/C9H15N.V/c1-4-7-8-9(5-2)10-6-3;/h4,7-8H2,1-3H3;/q-2;+2
InChIKeyBHVUBEOMGLLJKR-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.85
Rot. Bonds4

About N-hept-2-en-3-ylethanimine;vanadium(2+)

N-hept-2-en-3-ylethanimine;vanadium(2+) (PubChem CID 23597523) has the molecular formula C9H15NV and a molecular weight of 188.17 g/mol. Its IUPAC name is N-hept-2-en-3-ylethanimine;vanadium(2+).

Molecular Properties

Compound NameN-hept-2-en-3-ylethanimine;vanadium(2+)
PubChem CID23597523
Molecular FormulaC9H15NV
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC NameN-hept-2-en-3-ylethanimine;vanadium(2+)
SMILESC/[C-]=N/C(=[C-]/C)CCCC.[V+2]
InChIInChI=1S/C9H15N.V/c1-4-7-8-9(5-2)10-6-3;/h4,7-8H2,1-3H3;/q-2;+2
InChIKeyBHVUBEOMGLLJKR-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.85
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-(cyclohexen-1-yl)ethanimine;yttrium
CID 138981316
N-pent-2-en-3-ylethanimine;vanadium(2+)
CID 58760499
N-(cyclopenten-1-yl)ethanimine;yttrium
CID 145810777
2-Methyl-5-propan-2-ylidene-3,4-dihydropyrrole
CID 166953933
N-(cyclohexen-1-yl)ethanimine;tungsten(2+)
CID 177195289
carbanide;N-(cyclohexen-1-yl)ethanimine;tungsten
CID 177195302

Frequently Asked Questions

What is the IUPAC name of N-hept-2-en-3-ylethanimine;vanadium(2+)?
The IUPAC name of N-hept-2-en-3-ylethanimine;vanadium(2+) (CID 23597523) is N-hept-2-en-3-ylethanimine;vanadium(2+).
What is the SMILES notation for N-hept-2-en-3-ylethanimine;vanadium(2+)?
The canonical SMILES for N-hept-2-en-3-ylethanimine;vanadium(2+) is C/[C-]=N/C(=[C-]/C)CCCC.[V+2].
What is the InChIKey of N-hept-2-en-3-ylethanimine;vanadium(2+)?
The InChIKey is BHVUBEOMGLLJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.V/c1-4-7-8-9(5-2)10-6-3;/h4,7-8H2,1-3H3;/q-2;+2.
What are the key properties of N-hept-2-en-3-ylethanimine;vanadium(2+)?
N-hept-2-en-3-ylethanimine;vanadium(2+) has a molecular weight of 188.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-2-en-3-ylethanimine;vanadium(2+) is sourced from PubChem (CID 23597523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).