4-azaspiro[2.5]octan-7-one;hydrochloride

C7H12ClNO — CID 135394030

IUPAC4-azaspiro[2.5]octan-7-one;hydrochloride
SMILESCl.O=C1CCNC2(CC2)C1
InChIInChI=1S/C7H11NO.ClH/c9-6-1-4-8-7(5-6)2-3-7;/h8H,1-5H2;1H
InChIKeyILTWOZHPPMUKIE-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.89
Rot. Bonds

About 4-azaspiro[2.5]octan-7-one;hydrochloride

4-azaspiro[2.5]octan-7-one;hydrochloride (PubChem CID 135394030) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 4-azaspiro[2.5]octan-7-one;hydrochloride.

Molecular Properties

Compound Name4-azaspiro[2.5]octan-7-one;hydrochloride
PubChem CID135394030
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name4-azaspiro[2.5]octan-7-one;hydrochloride
SMILESCl.O=C1CCNC2(CC2)C1
InChIInChI=1S/C7H11NO.ClH/c9-6-1-4-8-7(5-6)2-3-7;/h8H,1-5H2;1H
InChIKeyILTWOZHPPMUKIE-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octan-7-one;hydrochloride?
The IUPAC name of 4-azaspiro[2.5]octan-7-one;hydrochloride (CID 135394030) is 4-azaspiro[2.5]octan-7-one;hydrochloride.
What is the SMILES notation for 4-azaspiro[2.5]octan-7-one;hydrochloride?
The canonical SMILES for 4-azaspiro[2.5]octan-7-one;hydrochloride is Cl.O=C1CCNC2(CC2)C1.
What is the InChIKey of 4-azaspiro[2.5]octan-7-one;hydrochloride?
The InChIKey is ILTWOZHPPMUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c9-6-1-4-8-7(5-6)2-3-7;/h8H,1-5H2;1H.
What are the key properties of 4-azaspiro[2.5]octan-7-one;hydrochloride?
4-azaspiro[2.5]octan-7-one;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octan-7-one;hydrochloride is sourced from PubChem (CID 135394030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).