5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione

C17H21NO3 — CID 79422338

IUPAC5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CCCOCC3)c1
InChIInChI=1S/C17H21NO3/c1-12-4-2-5-13(10-12)15-16(20)18-14(19)11-17(15)6-3-8-21-9-7-17/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,18,19,20)
InChIKeyWAOHVCAGNRSKCI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds1

About 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione

5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione (PubChem CID 79422338) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione.

Molecular Properties

Compound Name5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
PubChem CID79422338
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CCCOCC3)c1
InChIInChI=1S/C17H21NO3/c1-12-4-2-5-13(10-12)15-16(20)18-14(19)11-17(15)6-3-8-21-9-7-17/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,18,19,20)
InChIKeyWAOHVCAGNRSKCI-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
The IUPAC name of 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione (CID 79422338) is 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione.
What is the SMILES notation for 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
The canonical SMILES for 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione is Cc1cccc(C2C(=O)NC(=O)CC23CCCOCC3)c1.
What is the InChIKey of 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
The InChIKey is WAOHVCAGNRSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-4-2-5-13(10-12)15-16(20)18-14(19)11-17(15)6-3-8-21-9-7-17/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,18,19,20).
What are the key properties of 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione?
5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione is sourced from PubChem (CID 79422338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).