1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione

C12H19NO2 — CID 10910787

IUPAC1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione
SMILESCCC(C)N1C(=O)CCC12CCC(=O)C2
InChIInChI=1S/C12H19NO2/c1-3-9(2)13-11(15)5-7-12(13)6-4-10(14)8-12/h9H,3-8H2,1-2H3
InChIKeyLRMVTTUDFBOQNY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds2

About 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione

1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione (PubChem CID 10910787) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione
PubChem CID10910787
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione
SMILESCCC(C)N1C(=O)CCC12CCC(=O)C2
InChIInChI=1S/C12H19NO2/c1-3-9(2)13-11(15)5-7-12(13)6-4-10(14)8-12/h9H,3-8H2,1-2H3
InChIKeyLRMVTTUDFBOQNY-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione?
The IUPAC name of 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione (CID 10910787) is 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione is CCC(C)N1C(=O)CCC12CCC(=O)C2.
What is the InChIKey of 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione?
The InChIKey is LRMVTTUDFBOQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-9(2)13-11(15)5-7-12(13)6-4-10(14)8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione?
1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione has a molecular weight of 209.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-azaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 10910787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).