2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H29N3O — CID 66827506

IUPAC2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCCCCCCC1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-14-18-15(20)16(19-14)10-12-17-13-11-16/h17H,2-13H2,1H3,(H,18,19,20)
InChIKeyVDQTYQGUPADBLO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.78
Rot. Bonds8

About 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 66827506) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID66827506
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCCCCCCC1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-14-18-15(20)16(19-14)10-12-17-13-11-16/h17H,2-13H2,1H3,(H,18,19,20)
InChIKeyVDQTYQGUPADBLO-UHFFFAOYSA-N
XLogP2.78
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 66827506) is 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCCCCCCC1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is VDQTYQGUPADBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-14-18-15(20)16(19-14)10-12-17-13-11-16/h17H,2-13H2,1H3,(H,18,19,20).
What are the key properties of 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 279.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 66827506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).