6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione

C17H27NO2 — CID 106664480

IUPAC6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCC1CC(C)(C)CC12CC(=O)NC(=O)C2C1CCCC1
InChIInChI=1S/C17H27NO2/c1-11-8-16(2,3)10-17(11)9-13(19)18-15(20)14(17)12-6-4-5-7-12/h11-12,14H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyLXFJXROWRKPVEU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.28
Rot. Bonds1

About 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione

6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 106664480) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione
PubChem CID106664480
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCC1CC(C)(C)CC12CC(=O)NC(=O)C2C1CCCC1
InChIInChI=1S/C17H27NO2/c1-11-8-16(2,3)10-17(11)9-13(19)18-15(20)14(17)12-6-4-5-7-12/h11-12,14H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyLXFJXROWRKPVEU-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,6-tetramethyl-8-azaspiro[4.5]decane-7,9-dione
CID 106664475
3'-cyclopentyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-piperidine]-2',6'-dione
CID 115926968
5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 115926989
5-cyclopentyl-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
CID 112570665
5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one
CID 106664189
(5aR,9aS)-4,4-dimethyl-3,5,5a,6,7,8,9,9a-octahydro-1H-benzo[b]azepin-2-one;sulfane
CID 161070770
3'-methylspiro[bicyclo[3.1.0]hexane-2,4'-piperidine]-2',6'-dione
CID 130525151
10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 106874882
6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 81315265
11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79431545
5,5,7-trimethylspiro[2.4]heptan-2-amine
CID 106663995
5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79437502

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione (CID 106664480) is 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione is CC1CC(C)(C)CC12CC(=O)NC(=O)C2C1CCCC1.
What is the InChIKey of 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LXFJXROWRKPVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-8-16(2,3)10-17(11)9-13(19)18-15(20)14(17)12-6-4-5-7-12/h11-12,14H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione?
6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 277.41 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2,2,4-trimethyl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 106664480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).