8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

C14H22N2O2 — CID 62540613

IUPAC8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CC1CCCN1
InChIInChI=1S/C14H22N2O2/c17-12-8-14(5-1-2-6-14)9-13(18)16(12)10-11-4-3-7-15-11/h11,15H,1-10H2
InChIKeyIWDKXQXTVJDKOZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds2

About 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 62540613) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID62540613
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CC1CCCN1
InChIInChI=1S/C14H22N2O2/c17-12-8-14(5-1-2-6-14)9-13(18)16(12)10-11-4-3-7-15-11/h11,15H,1-10H2
InChIKeyIWDKXQXTVJDKOZ-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
2-(pyrrolidin-2-ylmethyl)-2-azaspiro[3.5]nonane
CID 79677168
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262251
6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
CID 105482203
3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 106131105
2-(2-piperidin-2-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437197
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3,3-dimethyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidine-2,5-dione
CID 65301913

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (CID 62540613) is 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CC1CCCN1.
What is the InChIKey of 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is IWDKXQXTVJDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-8-14(5-1-2-6-14)9-13(18)16(12)10-11-4-3-7-15-11/h11,15H,1-10H2.
What are the key properties of 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 250.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 62540613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).