1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide

C7H12N2O3 — CID 77404616

IUPAC1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
SMILESNC(=O)C1CC2(CN1)OCCO2
InChIInChI=1S/C7H12N2O3/c8-6(10)5-3-7(4-9-5)11-1-2-12-7/h5,9H,1-4H2,(H2,8,10)
InChIKeyITNIPBGDTQLYRS-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.42
Rot. Bonds1

About 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide

1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide (PubChem CID 77404616) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide.

Molecular Properties

Compound Name1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
PubChem CID77404616
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
SMILESNC(=O)C1CC2(CN1)OCCO2
InChIInChI=1S/C7H12N2O3/c8-6(10)5-3-7(4-9-5)11-1-2-12-7/h5,9H,1-4H2,(H2,8,10)
InChIKeyITNIPBGDTQLYRS-UHFFFAOYSA-N
XLogP-1.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide (CID 77404616) is 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide.
What is the SMILES notation for 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The canonical SMILES for 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide is NC(=O)C1CC2(CN1)OCCO2.
What is the InChIKey of 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The InChIKey is ITNIPBGDTQLYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-6(10)5-3-7(4-9-5)11-1-2-12-7/h5,9H,1-4H2,(H2,8,10).
What are the key properties of 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide has a molecular weight of 172.18 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide is sourced from PubChem (CID 77404616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).