5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one

C16H24N2O2 — CID 64864827

IUPAC5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one
SMILESCCOC1CC(Nc2ccc(=O)n(C)c2)C12CCCC2
InChIInChI=1S/C16H24N2O2/c1-3-20-14-10-13(16(14)8-4-5-9-16)17-12-6-7-15(19)18(2)11-12/h6-7,11,13-14,17H,3-5,8-10H2,1-2H3
InChIKeyPVPSFSLSJOVMSS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds4

About 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one

5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one (PubChem CID 64864827) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one
PubChem CID64864827
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one
SMILESCCOC1CC(Nc2ccc(=O)n(C)c2)C12CCCC2
InChIInChI=1S/C16H24N2O2/c1-3-20-14-10-13(16(14)8-4-5-9-16)17-12-6-7-15(19)18(2)11-12/h6-7,11,13-14,17H,3-5,8-10H2,1-2H3
InChIKeyPVPSFSLSJOVMSS-UHFFFAOYSA-N
XLogP2.54
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one (CID 64864827) is 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one is CCOC1CC(Nc2ccc(=O)n(C)c2)C12CCCC2.
What is the InChIKey of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one?
The InChIKey is PVPSFSLSJOVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-14-10-13(16(14)8-4-5-9-16)17-12-6-7-15(19)18(2)11-12/h6-7,11,13-14,17H,3-5,8-10H2,1-2H3.
What are the key properties of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one?
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 64864827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).