ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine

C11H19N — CID 143214227

IUPACethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine
SMILESC=C/C=C1/CCC/C1=N\C.CC
InChIInChI=1S/C9H13N.C2H6/c1-3-5-8-6-4-7-9(8)10-2;1-2/h3,5H,1,4,6-7H2,2H3;1-2H3/b8-5-,10-9+;
InChIKeyLSKAYIURTQBQQV-BANBLHKUSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds1

About ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine

ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine (PubChem CID 143214227) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine
PubChem CID143214227
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine
SMILESC=C/C=C1/CCC/C1=N\C.CC
InChIInChI=1S/C9H13N.C2H6/c1-3-5-8-6-4-7-9(8)10-2;1-2/h3,5H,1,4,6-7H2,2H3;1-2H3/b8-5-,10-9+;
InChIKeyLSKAYIURTQBQQV-BANBLHKUSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine?
The IUPAC name of ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine (CID 143214227) is ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine.
What is the SMILES notation for ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine?
The canonical SMILES for ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine is C=C/C=C1/CCC/C1=N\C.CC.
What is the InChIKey of ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine?
The InChIKey is LSKAYIURTQBQQV-BANBLHKUSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-3-5-8-6-4-7-9(8)10-2;1-2/h3,5H,1,4,6-7H2,2H3;1-2H3/b8-5-,10-9+;.
What are the key properties of ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine?
ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine is sourced from PubChem (CID 143214227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).