2-methyl-6-oxaspiro[2.5]octane-2-carboxamide

C9H15NO2 — CID 172536846

IUPAC2-methyl-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCC1(C(N)=O)CC12CCOCC2
InChIInChI=1S/C9H15NO2/c1-8(7(10)11)6-9(8)2-4-12-5-3-9/h2-6H2,1H3,(H2,10,11)
InChIKeyRWCVNSZNNREYRM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.68
Rot. Bonds1

About 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide

2-methyl-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 172536846) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID172536846
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCC1(C(N)=O)CC12CCOCC2
InChIInChI=1S/C9H15NO2/c1-8(7(10)11)6-9(8)2-4-12-5-3-9/h2-6H2,1H3,(H2,10,11)
InChIKeyRWCVNSZNNREYRM-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide (CID 172536846) is 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide is CC1(C(N)=O)CC12CCOCC2.
What is the InChIKey of 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is RWCVNSZNNREYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(7(10)11)6-9(8)2-4-12-5-3-9/h2-6H2,1H3,(H2,10,11).
What are the key properties of 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
2-methyl-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 172536846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).