N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide

C9H16N2O — CID 130683963

IUPACN,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCN(C)C(=O)C1CC12CCNC2
InChIInChI=1S/C9H16N2O/c1-11(2)8(12)7-5-9(7)3-4-10-6-9/h7,10H,3-6H2,1-2H3
InChIKeyGBGFOUBATMQKIO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.07
Rot. Bonds1

About N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide

N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 130683963) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID130683963
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCN(C)C(=O)C1CC12CCNC2
InChIInChI=1S/C9H16N2O/c1-11(2)8(12)7-5-9(7)3-4-10-6-9/h7,10H,3-6H2,1-2H3
InChIKeyGBGFOUBATMQKIO-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide (CID 130683963) is N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide is CN(C)C(=O)C1CC12CCNC2.
What is the InChIKey of N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is GBGFOUBATMQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11(2)8(12)7-5-9(7)3-4-10-6-9/h7,10H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide?
N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 130683963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).