8-phenacyl-8-azaspiro[4.5]decane-7,9-dione

C17H19NO3 — CID 46934489

IUPAC8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-14(13-6-2-1-3-7-13)12-18-15(20)10-17(11-16(18)21)8-4-5-9-17/h1-3,6-7H,4-5,8-12H2
InChIKeyLCKFRKWABVSQGI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.58
Rot. Bonds3

About 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione

8-phenacyl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 46934489) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
PubChem CID46934489
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-14(13-6-2-1-3-7-13)12-18-15(20)10-17(11-16(18)21)8-4-5-9-17/h1-3,6-7H,4-5,8-12H2
InChIKeyLCKFRKWABVSQGI-UHFFFAOYSA-N
XLogP2.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenacylpyrrolidine-2,5-dione
CID 717114
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-(2-hydroxyphenyl)acetamide
CID 4500800
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 4500586
2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435738
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430
4,4-dimethyl-1-phenacylpyrrolidin-2-one
CID 176908615
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 61069830
N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide
CID 4500804
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62934469
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113

Frequently Asked Questions

What is the IUPAC name of 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione (CID 46934489) is 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione is O=C(CN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1.
What is the InChIKey of 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LCKFRKWABVSQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-14(13-6-2-1-3-7-13)12-18-15(20)10-17(11-16(18)21)8-4-5-9-17/h1-3,6-7H,4-5,8-12H2.
What are the key properties of 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione?
8-phenacyl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 285.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenacyl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 46934489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).