2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione

C17H23NO2 — CID 139204133

IUPAC2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione
SMILESCCN1C(C)=CC(=C2C(=O)CC(C)(C)CC2=O)C=C1C
InChIInChI=1S/C17H23NO2/c1-6-18-11(2)7-13(8-12(18)3)16-14(19)9-17(4,5)10-15(16)20/h7-8H,6,9-10H2,1-5H3
InChIKeyNDBPVZQVBJEGCV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.38
Rot. Bonds1

About 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione

2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione (PubChem CID 139204133) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione.

Molecular Properties

Compound Name2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione
PubChem CID139204133
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione
SMILESCCN1C(C)=CC(=C2C(=O)CC(C)(C)CC2=O)C=C1C
InChIInChI=1S/C17H23NO2/c1-6-18-11(2)7-13(8-12(18)3)16-14(19)9-17(4,5)10-15(16)20/h7-8H,6,9-10H2,1-5H3
InChIKeyNDBPVZQVBJEGCV-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione with MolForge

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Related Compounds

2-[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 2272896
Pipiquvaqtvkfi-alcczggfsa-
CID 2272894
Prxxinpnffmkjv-mdzdmxlpsa-
CID 23266552
2-[3-(Dimethylamino)prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 781229
2-[3-[Bis(prop-2-enyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 58175105
2-[(E)-3-[bis(prop-2-enyl)amino]prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 58175144
2-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 58426315
2-[3-(Dibutylamino)prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 59775560
2-[cyanomethyl-[(E)-3-(4,4-dimethyl-2,6-dioxocyclohexylidene)prop-1-enyl]amino]acetonitrile
CID 88902303
2-[(E)-3-(diethylamino)prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 101706099
5,5-dimethyl-2-[(2E)-2-(1,5,5-trimethylpyrrolidin-2-ylidene)ethylidene]cyclohexane-1,3-dione
CID 130327935
2-[(2E)-2-(4-butyl-1-methylpyrrolidin-2-ylidene)ethylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 130327944

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione?
The IUPAC name of 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione (CID 139204133) is 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione.
What is the SMILES notation for 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione?
The canonical SMILES for 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione is CCN1C(C)=CC(=C2C(=O)CC(C)(C)CC2=O)C=C1C.
What is the InChIKey of 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione?
The InChIKey is NDBPVZQVBJEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-6-18-11(2)7-13(8-12(18)3)16-14(19)9-17(4,5)10-15(16)20/h7-8H,6,9-10H2,1-5H3.
What are the key properties of 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione?
2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione has a molecular weight of 273.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2,6-dimethyl-4-pyridinylidene)-5,5-dimethylcyclohexane-1,3-dione is sourced from PubChem (CID 139204133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).