4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione

C15H19NO3 — CID 163114502

IUPAC4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione
SMILESCC1=C[C@H](C)C/C(=C/CC2CC(=O)NC(=O)C2)C1=O
InChIInChI=1S/C15H19NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17,18)/b12-4-/t9-/m0/s1
InChIKeyVNNQYZLNEYSKDK-XXMVTMBHSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds2

About 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione

4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione (PubChem CID 163114502) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione
PubChem CID163114502
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione
SMILESCC1=C[C@H](C)C/C(=C/CC2CC(=O)NC(=O)C2)C1=O
InChIInChI=1S/C15H19NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17,18)/b12-4-/t9-/m0/s1
InChIKeyVNNQYZLNEYSKDK-XXMVTMBHSA-N
XLogP1.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione?
The IUPAC name of 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione (CID 163114502) is 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione is CC1=C[C@H](C)C/C(=C/CC2CC(=O)NC(=O)C2)C1=O.
What is the InChIKey of 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione?
The InChIKey is VNNQYZLNEYSKDK-XXMVTMBHSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17,18)/b12-4-/t9-/m0/s1.
What are the key properties of 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione?
4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione is sourced from PubChem (CID 163114502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).