N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine

C12H19N — CID 126733836

IUPACN-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine
SMILESC=CCC1CCC(C=C)C1/N=C/C
InChIInChI=1S/C12H19N/c1-4-7-11-9-8-10(5-2)12(11)13-6-3/h4-6,10-12H,1-2,7-9H2,3H3/b13-6+
InChIKeyDIKURBQETVRMAL-AWNIVKPZSA-N
MW177.29 g/mol
LogP3.23
Rot. Bonds4

About N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine

N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine (PubChem CID 126733836) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine
PubChem CID126733836
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine
SMILESC=CCC1CCC(C=C)C1/N=C/C
InChIInChI=1S/C12H19N/c1-4-7-11-9-8-10(5-2)12(11)13-6-3/h4-6,10-12H,1-2,7-9H2,3H3/b13-6+
InChIKeyDIKURBQETVRMAL-AWNIVKPZSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine?
The IUPAC name of N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine (CID 126733836) is N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine.
What is the SMILES notation for N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine?
The canonical SMILES for N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine is C=CCC1CCC(C=C)C1/N=C/C.
What is the InChIKey of N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine?
The InChIKey is DIKURBQETVRMAL-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H19N/c1-4-7-11-9-8-10(5-2)12(11)13-6-3/h4-6,10-12H,1-2,7-9H2,3H3/b13-6+.
What are the key properties of N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine?
N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine is sourced from PubChem (CID 126733836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).