(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene

C14H17N — CID 143708021

IUPAC(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene
SMILESC=C/C=C1\C(=C)C(C)=NC2(C=C)CC12C
InChIInChI=1S/C14H17N/c1-6-8-12-10(3)11(4)15-14(7-2)9-13(12,14)5/h6-8H,1-3,9H2,4-5H3/b12-8+
InChIKeyYUEUOOFMYGXSFU-XYOKQWHBSA-N
MW199.30 g/mol
LogP3.46
Rot. Bonds2

About (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene

(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene (PubChem CID 143708021) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene
PubChem CID143708021
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene
SMILESC=C/C=C1\C(=C)C(C)=NC2(C=C)CC12C
InChIInChI=1S/C14H17N/c1-6-8-12-10(3)11(4)15-14(7-2)9-13(12,14)5/h6-8H,1-3,9H2,4-5H3/b12-8+
InChIKeyYUEUOOFMYGXSFU-XYOKQWHBSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene?
The IUPAC name of (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene (CID 143708021) is (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene is C=C/C=C1\C(=C)C(C)=NC2(C=C)CC12C.
What is the InChIKey of (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene?
The InChIKey is YUEUOOFMYGXSFU-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H17N/c1-6-8-12-10(3)11(4)15-14(7-2)9-13(12,14)5/h6-8H,1-3,9H2,4-5H3/b12-8+.
What are the key properties of (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene?
(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene has a molecular weight of 199.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 143708021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).