bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one

C15H24N2O3 — CID 21274876

IUPACbis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one
SMILESC=CC(N)=O.C=CC(N)=O.CC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C9H14O.2C3H5NO/c1-7-4-8(10)6-9(2,3)5-7;2*1-2-3(4)5/h4H,5-6H2,1-3H3;2*2H,1H2,(H2,4,5)
InChIKeyGLDDREYOWHLSRJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.64
Rot. Bonds2

About bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one

bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one (PubChem CID 21274876) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Namebis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one
PubChem CID21274876
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namebis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one
SMILESC=CC(N)=O.C=CC(N)=O.CC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C9H14O.2C3H5NO/c1-7-4-8(10)6-9(2,3)5-7;2*1-2-3(4)5/h4H,5-6H2,1-3H3;2*2H,1H2,(H2,4,5)
InChIKeyGLDDREYOWHLSRJ-UHFFFAOYSA-N
XLogP1.64
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one?
The IUPAC name of bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one (CID 21274876) is bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one?
The canonical SMILES for bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one is C=CC(N)=O.C=CC(N)=O.CC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one?
The InChIKey is GLDDREYOWHLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.2C3H5NO/c1-7-4-8(10)6-9(2,3)5-7;2*1-2-3(4)5/h4H,5-6H2,1-3H3;2*2H,1H2,(H2,4,5).
What are the key properties of bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one?
bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enamide);3,5,5-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 21274876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).