(6-oxocyclohex-2-en-1-ylidene)azanium

C6H8NO+ — CID 163991159

IUPAC(6-oxocyclohex-2-en-1-ylidene)azanium
SMILES[NH2+]=C1C=CCCC1=O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/p+1
InChIKeyUATBPDRCJIDIFW-UHFFFAOYSA-O
MW110.14 g/mol
LogP-0.89
Rot. Bonds

About (6-oxocyclohex-2-en-1-ylidene)azanium

(6-oxocyclohex-2-en-1-ylidene)azanium (PubChem CID 163991159) has the molecular formula C6H8NO+ and a molecular weight of 110.14 g/mol. Its IUPAC name is (6-oxocyclohex-2-en-1-ylidene)azanium.

Molecular Properties

Compound Name(6-oxocyclohex-2-en-1-ylidene)azanium
PubChem CID163991159
Molecular FormulaC6H8NO+
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name(6-oxocyclohex-2-en-1-ylidene)azanium
SMILES[NH2+]=C1C=CCCC1=O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/p+1
InChIKeyUATBPDRCJIDIFW-UHFFFAOYSA-O
XLogP-0.89
TPSA42.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-oxocyclohex-2-en-1-ylidene)azanium?
The IUPAC name of (6-oxocyclohex-2-en-1-ylidene)azanium (CID 163991159) is (6-oxocyclohex-2-en-1-ylidene)azanium.
What is the SMILES notation for (6-oxocyclohex-2-en-1-ylidene)azanium?
The canonical SMILES for (6-oxocyclohex-2-en-1-ylidene)azanium is [NH2+]=C1C=CCCC1=O.
What is the InChIKey of (6-oxocyclohex-2-en-1-ylidene)azanium?
The InChIKey is UATBPDRCJIDIFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/p+1.
What are the key properties of (6-oxocyclohex-2-en-1-ylidene)azanium?
(6-oxocyclohex-2-en-1-ylidene)azanium has a molecular weight of 110.14 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxocyclohex-2-en-1-ylidene)azanium is sourced from PubChem (CID 163991159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).