2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine

C14H19N — CID 70325313

IUPAC2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine
SMILESC1=CC([C@@H]2C=CC(C3C=N3)CC2)CCC1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-10-15-14/h2,4,6,8,10-14H,1,3,5,7,9H2/t11?,12-,13?,14?/m1/s1
InChIKeyIWRAEFOYOWPKMT-DBBXXEFVSA-N
MW201.31 g/mol
LogP3.38
Rot. Bonds2

About 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine

2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine (PubChem CID 70325313) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine.

Molecular Properties

Compound Name2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine
PubChem CID70325313
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine
SMILESC1=CC([C@@H]2C=CC(C3C=N3)CC2)CCC1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-10-15-14/h2,4,6,8,10-14H,1,3,5,7,9H2/t11?,12-,13?,14?/m1/s1
InChIKeyIWRAEFOYOWPKMT-DBBXXEFVSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.38
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 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine?
The IUPAC name of 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine (CID 70325313) is 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine.
What is the SMILES notation for 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine?
The canonical SMILES for 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine is C1=CC([C@@H]2C=CC(C3C=N3)CC2)CCC1.
What is the InChIKey of 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine?
The InChIKey is IWRAEFOYOWPKMT-DBBXXEFVSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-10-15-14/h2,4,6,8,10-14H,1,3,5,7,9H2/t11?,12-,13?,14?/m1/s1.
What are the key properties of 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine?
2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine has a molecular weight of 201.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine is sourced from PubChem (CID 70325313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).