N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide

C13H21N3O2 — CID 103872609

IUPACN-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CC23CCNCC3)C1=O
InChIInChI=1S/C13H21N3O2/c1-16-7-2-10(12(16)18)15-11(17)9-8-13(9)3-5-14-6-4-13/h9-10,14H,2-8H2,1H3,(H,15,17)
InChIKeyMUTMLFLCZCUQDY-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.28
Rot. Bonds2

About N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide

N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 103872609) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID103872609
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CC23CCNCC3)C1=O
InChIInChI=1S/C13H21N3O2/c1-16-7-2-10(12(16)18)15-11(17)9-8-13(9)3-5-14-6-4-13/h9-10,14H,2-8H2,1H3,(H,15,17)
InChIKeyMUTMLFLCZCUQDY-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide (CID 103872609) is N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide is CN1CCC(NC(=O)C2CC23CCNCC3)C1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MUTMLFLCZCUQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-7-2-10(12(16)18)15-11(17)9-8-13(9)3-5-14-6-4-13/h9-10,14H,2-8H2,1H3,(H,15,17).
What are the key properties of N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrrolidin-3-yl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 103872609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).