13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione

C18H17NO4 — CID 170913758

IUPAC13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione
SMILESCN1C(=O)C2(OC(=O)C=C2c2ccccc2)C(=O)C12CCCC2
InChIInChI=1S/C18H17NO4/c1-19-16(22)18(15(21)17(19)9-5-6-10-17)13(11-14(20)23-18)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyURIYTPVQKZRYMB-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.72
Rot. Bonds1

About 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione

13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione (PubChem CID 170913758) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione.

Molecular Properties

Compound Name13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione
PubChem CID170913758
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione
SMILESCN1C(=O)C2(OC(=O)C=C2c2ccccc2)C(=O)C12CCCC2
InChIInChI=1S/C18H17NO4/c1-19-16(22)18(15(21)17(19)9-5-6-10-17)13(11-14(20)23-18)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyURIYTPVQKZRYMB-UHFFFAOYSA-N
XLogP1.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione
CID 170914053
4-phenyl-1-oxaspiro[4.4]non-3-en-2-one
CID 14006218
1-hydroxy-2-phenyl-1,3-diazaspiro[4.5]dec-2-en-4-one
CID 15587684
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623558
9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637642
2-methyl-3-phenyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 139662377
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
methyl 2-(2-methylpropanoyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135032131
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 684171

Frequently Asked Questions

What is the IUPAC name of 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione?
The IUPAC name of 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione (CID 170913758) is 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione.
What is the SMILES notation for 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione?
The canonical SMILES for 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione is CN1C(=O)C2(OC(=O)C=C2c2ccccc2)C(=O)C12CCCC2.
What is the InChIKey of 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione?
The InChIKey is URIYTPVQKZRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-19-16(22)18(15(21)17(19)9-5-6-10-17)13(11-14(20)23-18)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione?
13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione has a molecular weight of 311.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-8-phenyl-11-oxa-13-azadispiro[4.1.47.25]tridec-8-ene-6,10,12-trione is sourced from PubChem (CID 170913758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).