7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione

C19H18N2O2 — CID 46833032

IUPAC7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione
SMILESC=CCN1C(=O)C(c2ccccc2)=NC12C=C(C)C(=O)C(C)=C2
InChIInChI=1S/C19H18N2O2/c1-4-10-21-18(23)16(15-8-6-5-7-9-15)20-19(21)11-13(2)17(22)14(3)12-19/h4-9,11-12H,1,10H2,2-3H3
InChIKeyQEGPWPRMDZFEFF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.68
Rot. Bonds3

About 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione

7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione (PubChem CID 46833032) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione.

Molecular Properties

Compound Name7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione
PubChem CID46833032
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione
SMILESC=CCN1C(=O)C(c2ccccc2)=NC12C=C(C)C(=O)C(C)=C2
InChIInChI=1S/C19H18N2O2/c1-4-10-21-18(23)16(15-8-6-5-7-9-15)20-19(21)11-13(2)17(22)14(3)12-19/h4-9,11-12H,1,10H2,2-3H3
InChIKeyQEGPWPRMDZFEFF-UHFFFAOYSA-N
XLogP2.68
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
The IUPAC name of 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione (CID 46833032) is 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione.
What is the SMILES notation for 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
The canonical SMILES for 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione is C=CCN1C(=O)C(c2ccccc2)=NC12C=C(C)C(=O)C(C)=C2.
What is the InChIKey of 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
The InChIKey is QEGPWPRMDZFEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-4-10-21-18(23)16(15-8-6-5-7-9-15)20-19(21)11-13(2)17(22)14(3)12-19/h4-9,11-12H,1,10H2,2-3H3.
What are the key properties of 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione has a molecular weight of 306.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2-phenyl-4-prop-2-enyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione is sourced from PubChem (CID 46833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).