N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide

C9H16N2O — CID 130856026

IUPACN-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCCNC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H16N2O/c1-2-10-8(12)11-6-5-9(7-11)3-4-9/h2-7H2,1H3,(H,10,12)
InChIKeyCLYPSTAIUKZOSO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.20
Rot. Bonds1

About N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide

N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 130856026) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID130856026
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCCNC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H16N2O/c1-2-10-8(12)11-6-5-9(7-11)3-4-9/h2-7H2,1H3,(H,10,12)
InChIKeyCLYPSTAIUKZOSO-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide (CID 130856026) is N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide is CCNC(=O)N1CCC2(CC2)C1.
What is the InChIKey of N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is CLYPSTAIUKZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-10-8(12)11-6-5-9(7-11)3-4-9/h2-7H2,1H3,(H,10,12).
What are the key properties of N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide?
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 130856026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).