2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione

C18H23NO2 — CID 66579436

IUPAC2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione
SMILESCCCc1ccc(N2CCC3(CCC(=O)CC3)C2=O)cc1
InChIInChI=1S/C18H23NO2/c1-2-3-14-4-6-15(7-5-14)19-13-12-18(17(19)21)10-8-16(20)9-11-18/h4-7H,2-3,8-13H2,1H3
InChIKeyQBTWDSMSYGTZJS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione

2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione (PubChem CID 66579436) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione.

Molecular Properties

Compound Name2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione
PubChem CID66579436
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione
SMILESCCCc1ccc(N2CCC3(CCC(=O)CC3)C2=O)cc1
InChIInChI=1S/C18H23NO2/c1-2-3-14-4-6-15(7-5-14)19-13-12-18(17(19)21)10-8-16(20)9-11-18/h4-7H,2-3,8-13H2,1H3
InChIKeyQBTWDSMSYGTZJS-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione?
The IUPAC name of 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione (CID 66579436) is 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione.
What is the SMILES notation for 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione?
The canonical SMILES for 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione is CCCc1ccc(N2CCC3(CCC(=O)CC3)C2=O)cc1.
What is the InChIKey of 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione?
The InChIKey is QBTWDSMSYGTZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-3-14-4-6-15(7-5-14)19-13-12-18(17(19)21)10-8-16(20)9-11-18/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione?
2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione has a molecular weight of 285.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione is sourced from PubChem (CID 66579436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).