2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one

C16H28N2O — CID 54398966

IUPAC2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCCN1C(=O)C2(CCCC2)N=C1CCCC
InChIInChI=1S/C16H28N2O/c1-3-5-9-13-18-14(10-6-4-2)17-16(15(18)19)11-7-8-12-16/h3-13H2,1-2H3
InChIKeyMORIHAVDFPJUBO-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.92
Rot. Bonds7

About 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one

2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 54398966) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID54398966
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCCN1C(=O)C2(CCCC2)N=C1CCCC
InChIInChI=1S/C16H28N2O/c1-3-5-9-13-18-14(10-6-4-2)17-16(15(18)19)11-7-8-12-16/h3-13H2,1-2H3
InChIKeyMORIHAVDFPJUBO-UHFFFAOYSA-N
XLogP3.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 54398966) is 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one is CCCCCN1C(=O)C2(CCCC2)N=C1CCCC.
What is the InChIKey of 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is MORIHAVDFPJUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-9-13-18-14(10-6-4-2)17-16(15(18)19)11-7-8-12-16/h3-13H2,1-2H3.
What are the key properties of 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 264.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 54398966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).