[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone

C12H15NO2 — CID 57135758

IUPAC[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone
SMILESO=C=C1C=CCC/C1=C\N1CCOCC1
InChIInChI=1S/C12H15NO2/c14-10-12-4-2-1-3-11(12)9-13-5-7-15-8-6-13/h2,4,9H,1,3,5-8H2/b11-9+
InChIKeyPNXWNGHCRQWLHV-PKNBQFBNSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds1

About [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone

[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone (PubChem CID 57135758) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone.

Molecular Properties

Compound Name[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone
PubChem CID57135758
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone
SMILESO=C=C1C=CCC/C1=C\N1CCOCC1
InChIInChI=1S/C12H15NO2/c14-10-12-4-2-1-3-11(12)9-13-5-7-15-8-6-13/h2,4,9H,1,3,5-8H2/b11-9+
InChIKeyPNXWNGHCRQWLHV-PKNBQFBNSA-N
XLogP1.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone?
The IUPAC name of [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone (CID 57135758) is [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone.
What is the SMILES notation for [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone?
The canonical SMILES for [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone is O=C=C1C=CCC/C1=C\N1CCOCC1.
What is the InChIKey of [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone?
The InChIKey is PNXWNGHCRQWLHV-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H15NO2/c14-10-12-4-2-1-3-11(12)9-13-5-7-15-8-6-13/h2,4,9H,1,3,5-8H2/b11-9+.
What are the key properties of [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone?
[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone has a molecular weight of 205.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone is sourced from PubChem (CID 57135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).