(6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one

C8H11NO — CID 55299133

IUPAC(6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one
SMILESCN/C=C1/CCC=CC1=O
InChIInChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h3,5-6,9H,2,4H2,1H3/b7-6-
InChIKeyVFUAPQCBMNTXBT-SREVYHEPSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds1

About (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one

(6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one (PubChem CID 55299133) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one
PubChem CID55299133
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one
SMILESCN/C=C1/CCC=CC1=O
InChIInChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h3,5-6,9H,2,4H2,1H3/b7-6-
InChIKeyVFUAPQCBMNTXBT-SREVYHEPSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethylpyridin-4-OL
CID 15534895
1-(4-Hydroxy-6-methylpyridin-3-yl)ethan-1-one
CID 72214113
2,3,5-Trimethylpyridin-4-ol
CID 15055119
1-(1,4-Dihydropyridin-3-yl)ethanone
CID 139699882
2-Methylaminomethylenecyclohexanone
CID 76175077
Aminomethylidenecyclohexenone
CID 129694636
1-(4-Deuterio-1,4-dihydropyridin-3-yl)ethanone
CID 162411001
2-[1-Methylamino-meth-(Z)-ylidene]-cyclohexanone
CID 55206953
(6E)-6-(dimethylaminomethylidene)cyclohex-2-en-1-one
CID 13661715
3,5-diethyl-1H-pyridin-4-one
CID 19019567
3-but-3-enyl-1H-pyridin-4-one
CID 21472316
3,8-dihydro-2H-isoquinolin-7-one
CID 23171746

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one?
The IUPAC name of (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one (CID 55299133) is (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one.
What is the SMILES notation for (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one?
The canonical SMILES for (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one is CN/C=C1/CCC=CC1=O.
What is the InChIKey of (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one?
The InChIKey is VFUAPQCBMNTXBT-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h3,5-6,9H,2,4H2,1H3/b7-6-.
What are the key properties of (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one?
(6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one has a molecular weight of 137.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(methylaminomethylidene)cyclohex-2-en-1-one is sourced from PubChem (CID 55299133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).