2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione

C14H22N2O2 — CID 80564005

IUPAC2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC1CCNC1
InChIInChI=1S/C14H22N2O2/c17-12-8-14(5-2-1-3-6-14)13(18)16(12)10-11-4-7-15-9-11/h11,15H,1-10H2
InChIKeyKTZHYVVGSJZCHO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.31
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione

2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 80564005) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID80564005
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC1CCNC1
InChIInChI=1S/C14H22N2O2/c17-12-8-14(5-2-1-3-6-14)13(18)16(12)10-11-4-7-15-9-11/h11,15H,1-10H2
InChIKeyKTZHYVVGSJZCHO-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione (CID 80564005) is 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is KTZHYVVGSJZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-8-14(5-2-1-3-6-14)13(18)16(12)10-11-4-7-15-9-11/h11,15H,1-10H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 250.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 80564005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).