2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

C16H20N2O3 — CID 71859714

IUPAC2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCOc1ccc(CN2C(=O)CC3(CCCC3)C2=O)nc1
InChIInChI=1S/C16H20N2O3/c1-2-21-13-6-5-12(17-10-13)11-18-14(19)9-16(15(18)20)7-3-4-8-16/h5-6,10H,2-4,7-9,11H2,1H3
InChIKeyWAFHAUYGMWISLE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 71859714) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID71859714
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCOc1ccc(CN2C(=O)CC3(CCCC3)C2=O)nc1
InChIInChI=1S/C16H20N2O3/c1-2-21-13-6-5-12(17-10-13)11-18-14(19)9-16(15(18)20)7-3-4-8-16/h5-6,10H,2-4,7-9,11H2,1H3
InChIKeyWAFHAUYGMWISLE-UHFFFAOYSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 53626315
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CID 71855809
CID 71855809
CID 71971974
CID 71971974
CID 72888983
CID 72888983
CID 75425632
CID 75425632
CID 97421466
CID 97421466
CID 97451287
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CID 97461586
CID 97461586

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 71859714) is 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is CCOc1ccc(CN2C(=O)CC3(CCCC3)C2=O)nc1.
What is the InChIKey of 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is WAFHAUYGMWISLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-21-13-6-5-12(17-10-13)11-18-14(19)9-16(15(18)20)7-3-4-8-16/h5-6,10H,2-4,7-9,11H2,1H3.
What are the key properties of 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 71859714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).