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

C11H19ClN2O — CID 10176995

IUPAC2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
SMILESCCCCC1=NC2(CCCC2)C(=O)N1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;/h2-8H2,1H3,(H,12,13,14);1H
InChIKeyWWRHZLCKSVQRBG-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.44
Rot. Bonds3

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

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride (PubChem CID 10176995) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
PubChem CID10176995
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
SMILESCCCCC1=NC2(CCCC2)C(=O)N1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;/h2-8H2,1H3,(H,12,13,14);1H
InChIKeyWWRHZLCKSVQRBG-UHFFFAOYSA-N
XLogP2.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
The IUPAC name of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride (CID 10176995) is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride.
What is the SMILES notation for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
The canonical SMILES for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride is CCCCC1=NC2(CCCC2)C(=O)N1.Cl.
What is the InChIKey of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
The InChIKey is WWRHZLCKSVQRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;/h2-8H2,1H3,(H,12,13,14);1H.
What are the key properties of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride is sourced from PubChem (CID 10176995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).