(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone

C13H21NO3 — CID 131652284

IUPAC(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone
SMILESCC1COC2(CCN(C(=O)C3CCCO3)C2)C1
InChIInChI=1S/C13H21NO3/c1-10-7-13(17-8-10)4-5-14(9-13)12(15)11-3-2-6-16-11/h10-11H,2-9H2,1H3
InChIKeyNFQAMYZNCIAJMM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.19
Rot. Bonds1

About (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone

(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone (PubChem CID 131652284) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone
PubChem CID131652284
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone
SMILESCC1COC2(CCN(C(=O)C3CCCO3)C2)C1
InChIInChI=1S/C13H21NO3/c1-10-7-13(17-8-10)4-5-14(9-13)12(15)11-3-2-6-16-11/h10-11H,2-9H2,1H3
InChIKeyNFQAMYZNCIAJMM-UHFFFAOYSA-N
XLogP1.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone (CID 131652284) is (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone is CC1COC2(CCN(C(=O)C3CCCO3)C2)C1.
What is the InChIKey of (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone?
The InChIKey is NFQAMYZNCIAJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-7-13(17-8-10)4-5-14(9-13)12(15)11-3-2-6-16-11/h10-11H,2-9H2,1H3.
What are the key properties of (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone?
(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone has a molecular weight of 239.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 131652284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).