(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene

C14H22N2 — CID 166649943

IUPAC(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene
SMILESC=C1C/N=C/N[C@@H]2CC2/C=C\CC(CC)C1
InChIInChI=1S/C14H22N2/c1-3-12-5-4-6-13-8-14(13)16-10-15-9-11(2)7-12/h4,6,10,12-14H,2-3,5,7-9H2,1H3,(H,15,16)/b6-4-/t12?,13?,14-/m1/s1
InChIKeyWNLKFNFEWZDUDR-ZWDWZPANSA-N
MW218.34 g/mol
LogP2.93
Rot. Bonds1

About (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene

(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene (PubChem CID 166649943) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene.

Molecular Properties

Compound Name(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene
PubChem CID166649943
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene
SMILESC=C1C/N=C/N[C@@H]2CC2/C=C\CC(CC)C1
InChIInChI=1S/C14H22N2/c1-3-12-5-4-6-13-8-14(13)16-10-15-9-11(2)7-12/h4,6,10,12-14H,2-3,5,7-9H2,1H3,(H,15,16)/b6-4-/t12?,13?,14-/m1/s1
InChIKeyWNLKFNFEWZDUDR-ZWDWZPANSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene?
The IUPAC name of (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene (CID 166649943) is (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene.
What is the SMILES notation for (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene?
The canonical SMILES for (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene is C=C1C/N=C/N[C@@H]2CC2/C=C\CC(CC)C1.
What is the InChIKey of (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene?
The InChIKey is WNLKFNFEWZDUDR-ZWDWZPANSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-5-4-6-13-8-14(13)16-10-15-9-11(2)7-12/h4,6,10,12-14H,2-3,5,7-9H2,1H3,(H,15,16)/b6-4-/t12?,13?,14-/m1/s1.
What are the key properties of (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene?
(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene has a molecular weight of 218.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene is sourced from PubChem (CID 166649943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).