1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone

C11H17NO3 — CID 130878235

IUPAC1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC3(C2)OCCO3)CC1
InChIInChI=1S/C11H17NO3/c1-10(2-3-10)9(13)12-5-4-11(8-12)14-6-7-15-11/h2-8H2,1H3
InChIKeyFMSDPLRUKHGKPB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds1

About 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone

1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone (PubChem CID 130878235) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone
PubChem CID130878235
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC3(C2)OCCO3)CC1
InChIInChI=1S/C11H17NO3/c1-10(2-3-10)9(13)12-5-4-11(8-12)14-6-7-15-11/h2-8H2,1H3
InChIKeyFMSDPLRUKHGKPB-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone?
The IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone (CID 130878235) is 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone?
The canonical SMILES for 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC3(C2)OCCO3)CC1.
What is the InChIKey of 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone?
The InChIKey is FMSDPLRUKHGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(2-3-10)9(13)12-5-4-11(8-12)14-6-7-15-11/h2-8H2,1H3.
What are the key properties of 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone?
1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone has a molecular weight of 211.26 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130878235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).