5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride

C9H15ClN2O — CID 19379824

IUPAC5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride
SMILESCCCCC1=NC2(CC2)C(=O)N1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-2-3-4-7-10-8(12)9(11-7)5-6-9;/h2-6H2,1H3,(H,10,11,12);1H
InChIKeyZNLKEDSAPJIQQR-UHFFFAOYSA-N
MW202.68 g/mol
LogP1.66
Rot. Bonds3

About 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride

5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride (PubChem CID 19379824) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride.

Molecular Properties

Compound Name5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride
PubChem CID19379824
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride
SMILESCCCCC1=NC2(CC2)C(=O)N1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-2-3-4-7-10-8(12)9(11-7)5-6-9;/h2-6H2,1H3,(H,10,11,12);1H
InChIKeyZNLKEDSAPJIQQR-UHFFFAOYSA-N
XLogP1.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride?
The IUPAC name of 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride (CID 19379824) is 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride.
What is the SMILES notation for 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride?
The canonical SMILES for 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride is CCCCC1=NC2(CC2)C(=O)N1.Cl.
What is the InChIKey of 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride?
The InChIKey is ZNLKEDSAPJIQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-2-3-4-7-10-8(12)9(11-7)5-6-9;/h2-6H2,1H3,(H,10,11,12);1H.
What are the key properties of 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride?
5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride has a molecular weight of 202.68 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride is sourced from PubChem (CID 19379824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).