1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C9H14N2O2 — CID 83876086

IUPAC1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1C1CC1
InChIInChI=1S/C9H14N2O2/c12-8-11(7-1-2-7)9(6-13-8)3-4-10-5-9/h7,10H,1-6H2
InChIKeyGFGQKFQOXWSUDQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.33
Rot. Bonds1

About 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 83876086) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID83876086
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1C1CC1
InChIInChI=1S/C9H14N2O2/c12-8-11(7-1-2-7)9(6-13-8)3-4-10-5-9/h7,10H,1-6H2
InChIKeyGFGQKFQOXWSUDQ-UHFFFAOYSA-N
XLogP0.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 83876086) is 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is O=C1OCC2(CCNC2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is GFGQKFQOXWSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-11(7-1-2-7)9(6-13-8)3-4-10-5-9/h7,10H,1-6H2.
What are the key properties of 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83876086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).