7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione

C13H12ClNO3 — CID 171779142

IUPAC7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
SMILESO=C1OCCC12CCN(c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C13H12ClNO3/c14-9-1-3-10(4-2-9)15-7-5-13(11(15)16)6-8-18-12(13)17/h1-4H,5-8H2
InChIKeyIFWWAPASXFPLRA-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.01
Rot. Bonds1

About 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione

7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione (PubChem CID 171779142) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
PubChem CID171779142
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
SMILESO=C1OCCC12CCN(c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C13H12ClNO3/c14-9-1-3-10(4-2-9)15-7-5-13(11(15)16)6-8-18-12(13)17/h1-4H,5-8H2
InChIKeyIFWWAPASXFPLRA-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
CID 171779138
3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one
CID 134094956
3-(4-chlorophenyl)-1,3-oxazinan-2-one
CID 13450496
5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
CID 145417058
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
3-(4-chlorophenyl)-3-phenyloxolan-2-one
CID 175135173
3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one
CID 11322579
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
CID 58468052
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911982

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
The IUPAC name of 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione (CID 171779142) is 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
The canonical SMILES for 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione is O=C1OCCC12CCN(c1ccc(Cl)cc1)C2=O.
What is the InChIKey of 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
The InChIKey is IFWWAPASXFPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-9-1-3-10(4-2-9)15-7-5-13(11(15)16)6-8-18-12(13)17/h1-4H,5-8H2.
What are the key properties of 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione has a molecular weight of 265.70 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione is sourced from PubChem (CID 171779142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).