8-azaspiro[4.5]dec-3-en-2-one;hydrochloride

C9H14ClNO — CID 70038620

IUPAC8-azaspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCl.O=C1C=CC2(CCNCC2)C1
InChIInChI=1S/C9H13NO.ClH/c11-8-1-2-9(7-8)3-5-10-6-4-9;/h1-2,10H,3-7H2;1H
InChIKeyUOUFLXWQXWYDAY-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.31
Rot. Bonds

About 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride

8-azaspiro[4.5]dec-3-en-2-one;hydrochloride (PubChem CID 70038620) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride.

Molecular Properties

Compound Name8-azaspiro[4.5]dec-3-en-2-one;hydrochloride
PubChem CID70038620
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name8-azaspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCl.O=C1C=CC2(CCNCC2)C1
InChIInChI=1S/C9H13NO.ClH/c11-8-1-2-9(7-8)3-5-10-6-4-9;/h1-2,10H,3-7H2;1H
InChIKeyUOUFLXWQXWYDAY-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride?
The IUPAC name of 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride (CID 70038620) is 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride.
What is the SMILES notation for 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride?
The canonical SMILES for 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride is Cl.O=C1C=CC2(CCNCC2)C1.
What is the InChIKey of 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride?
The InChIKey is UOUFLXWQXWYDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c11-8-1-2-9(7-8)3-5-10-6-4-9;/h1-2,10H,3-7H2;1H.
What are the key properties of 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride?
8-azaspiro[4.5]dec-3-en-2-one;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]dec-3-en-2-one;hydrochloride is sourced from PubChem (CID 70038620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).