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

C12H20N2O — CID 143398952

IUPAC2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-10-13-11(15)12(14-10)8-5-6-9-12/h2-9H2,1H3,(H,13,14,15)
InChIKeyXFXRSXGJHCBURA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds4

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

2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 143398952) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID143398952
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-10-13-11(15)12(14-10)8-5-6-9-12/h2-9H2,1H3,(H,13,14,15)
InChIKeyXFXRSXGJHCBURA-UHFFFAOYSA-N
XLogP2.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(3,3-Difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574667
2-(3,3,3-Trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574754
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-(4-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619017
2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
CID 170353554
2-Butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 11708608
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 143398952) is 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one is CCCCCC1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is XFXRSXGJHCBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-7-10-13-11(15)12(14-10)8-5-6-9-12/h2-9H2,1H3,(H,13,14,15).
What are the key properties of 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 208.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 143398952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).