1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride

C8H13ClN2O — CID 67429086

IUPAC1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCl.O=C1C=CC2(CCNCC2)N1
InChIInChI=1S/C8H12N2O.ClH/c11-7-1-2-8(10-7)3-5-9-6-4-8;/h1-2,9H,3-6H2,(H,10,11);1H
InChIKeyFQXHOCXJGAWSIL-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.22
Rot. Bonds

About 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride

1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride (PubChem CID 67429086) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
PubChem CID67429086
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCl.O=C1C=CC2(CCNCC2)N1
InChIInChI=1S/C8H12N2O.ClH/c11-7-1-2-8(10-7)3-5-9-6-4-8;/h1-2,9H,3-6H2,(H,10,11);1H
InChIKeyFQXHOCXJGAWSIL-UHFFFAOYSA-N
XLogP0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
The IUPAC name of 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride (CID 67429086) is 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride.
What is the SMILES notation for 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
The canonical SMILES for 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride is Cl.O=C1C=CC2(CCNCC2)N1.
What is the InChIKey of 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
The InChIKey is FQXHOCXJGAWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c11-7-1-2-8(10-7)3-5-9-6-4-8;/h1-2,9H,3-6H2,(H,10,11);1H.
What are the key properties of 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride is sourced from PubChem (CID 67429086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).