spiro[4.5]dec-3-en-2-one;hydrochloride

C10H15ClO — CID 20548247

IUPACspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCl.O=C1C=CC2(CCCCC2)C1
InChIInChI=1S/C10H14O.ClH/c11-9-4-7-10(8-9)5-2-1-3-6-10;/h4,7H,1-3,5-6,8H2;1H
InChIKeyLGNZTWLGBDOFCX-UHFFFAOYSA-N
MW186.68 g/mol
LogP2.89
Rot. Bonds

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

spiro[4.5]dec-3-en-2-one;hydrochloride (PubChem CID 20548247) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is spiro[4.5]dec-3-en-2-one;hydrochloride.

Molecular Properties

Compound Namespiro[4.5]dec-3-en-2-one;hydrochloride
PubChem CID20548247
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Namespiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCl.O=C1C=CC2(CCCCC2)C1
InChIInChI=1S/C10H14O.ClH/c11-9-4-7-10(8-9)5-2-1-3-6-10;/h4,7H,1-3,5-6,8H2;1H
InChIKeyLGNZTWLGBDOFCX-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
CID 176830115
4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 565274
3-methylidenespiro[5.5]undec-4-ene
CID 13205232
1-oxaspiro[2.4]hept-4-en-6-one
CID 87510958
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
4-iodo-2-oxaspiro[5.5]undec-4-en-3-one
CID 71734337
(3E)-3-propylidenespiro[5.5]undec-4-ene
CID 20622624
1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067704
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
(4aS,5S,8aR)-4a-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 71665668
4-methoxyspiro[5.5]undec-4-en-2-one
CID 130848309
1-oxaspiro[5.5]undeca-2,10-dien-4-one
CID 102029700

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]dec-3-en-2-one;hydrochloride?
The IUPAC name of spiro[4.5]dec-3-en-2-one;hydrochloride (CID 20548247) is spiro[4.5]dec-3-en-2-one;hydrochloride.
What is the SMILES notation for spiro[4.5]dec-3-en-2-one;hydrochloride?
The canonical SMILES for spiro[4.5]dec-3-en-2-one;hydrochloride is Cl.O=C1C=CC2(CCCCC2)C1.
What is the InChIKey of spiro[4.5]dec-3-en-2-one;hydrochloride?
The InChIKey is LGNZTWLGBDOFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.ClH/c11-9-4-7-10(8-9)5-2-1-3-6-10;/h4,7H,1-3,5-6,8H2;1H.
What are the key properties of spiro[4.5]dec-3-en-2-one;hydrochloride?
spiro[4.5]dec-3-en-2-one;hydrochloride has a molecular weight of 186.68 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]dec-3-en-2-one;hydrochloride is sourced from PubChem (CID 20548247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).