3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide

C12H18N2O3 — CID 46613463

IUPAC3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
SMILESNC(=O)CCN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C12H18N2O3/c13-9(15)4-7-14-10(16)8-12(11(14)17)5-2-1-3-6-12/h1-8H2,(H2,13,15)
InChIKeyMEJCCAIZPBSHQH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds3

About 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide

3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide (PubChem CID 46613463) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
PubChem CID46613463
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
SMILESNC(=O)CCN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C12H18N2O3/c13-9(15)4-7-14-10(16)8-12(11(14)17)5-2-1-3-6-12/h1-8H2,(H2,13,15)
InChIKeyMEJCCAIZPBSHQH-UHFFFAOYSA-N
XLogP0.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
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 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide?
The IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide (CID 46613463) is 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide is NC(=O)CCN1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide?
The InChIKey is MEJCCAIZPBSHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-9(15)4-7-14-10(16)8-12(11(14)17)5-2-1-3-6-12/h1-8H2,(H2,13,15).
What are the key properties of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide?
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide is sourced from PubChem (CID 46613463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).