N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten

C10H16NW- — CID 58696114

IUPACN-(2-cyclopentylprop-2-enyl)ethanimine;tungsten
SMILESC=C(C/N=C/C)[C@@H]1C[CH-]CC1.[W]
InChIInChI=1S/C10H16N.W/c1-3-11-8-9(2)10-6-4-5-7-10;/h3-4,10H,2,5-8H2,1H3;/q-1;/b11-3+;/t10-;/m1./s1
InChIKeyKBSOOYVUOKDHER-MQQZZRNZSA-N
MW334.09 g/mol
LogP2.64
Rot. Bonds3

About N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten

N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten (PubChem CID 58696114) has the molecular formula C10H16NW- and a molecular weight of 334.09 g/mol. Its IUPAC name is N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten.

Molecular Properties

Compound NameN-(2-cyclopentylprop-2-enyl)ethanimine;tungsten
PubChem CID58696114
Molecular FormulaC10H16NW-
Molecular Weight334.09 g/mol
Exact Mass334.08
IUPAC NameN-(2-cyclopentylprop-2-enyl)ethanimine;tungsten
SMILESC=C(C/N=C/C)[C@@H]1C[CH-]CC1.[W]
InChIInChI=1S/C10H16N.W/c1-3-11-8-9(2)10-6-4-5-7-10;/h3-4,10H,2,5-8H2,1H3;/q-1;/b11-3+;/t10-;/m1./s1
InChIKeyKBSOOYVUOKDHER-MQQZZRNZSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 52.64
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-methylidenehexan-2-yl)ethanimine
CID 137536264
N-(1,2-diethyl-3-methylidenecyclopropyl)ethanimine
CID 138460916
(5S,7R)-7-ethyl-5-methyl-3-methylidene-4,5,6,7-tetrahydro-2H-azocine
CID 163514435
N-(5-methyl-4-methylidenehexyl)ethanimine
CID 163663275
N-(3-ethyl-2-methylidenehexyl)ethanimine
CID 166864525
N-methyl-2-(2-methylidenecyclopentyl)ethanimine
CID 169887952
N-(2-cyclopentylprop-2-enyl)ethanimine
CID 58696115

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten?
The IUPAC name of N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten (CID 58696114) is N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten.
What is the SMILES notation for N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten?
The canonical SMILES for N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten is C=C(C/N=C/C)[C@@H]1C[CH-]CC1.[W].
What is the InChIKey of N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten?
The InChIKey is KBSOOYVUOKDHER-MQQZZRNZSA-N. The full InChI is InChI=1S/C10H16N.W/c1-3-11-8-9(2)10-6-4-5-7-10;/h3-4,10H,2,5-8H2,1H3;/q-1;/b11-3+;/t10-;/m1./s1.
What are the key properties of N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten?
N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten has a molecular weight of 334.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylprop-2-enyl)ethanimine;tungsten is sourced from PubChem (CID 58696114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).