3-azaspiro[5.5]undecan-9-one;hydrochloride

C10H18ClNO — CID 67315842

IUPAC3-azaspiro[5.5]undecan-9-one;hydrochloride
SMILESCl.O=C1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H17NO.ClH/c12-9-1-3-10(4-2-9)5-7-11-8-6-10;/h11H,1-8H2;1H
InChIKeyFSPCKFWOMKQBEH-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.92
Rot. Bonds

About 3-azaspiro[5.5]undecan-9-one;hydrochloride

3-azaspiro[5.5]undecan-9-one;hydrochloride (PubChem CID 67315842) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-9-one;hydrochloride.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-9-one;hydrochloride
PubChem CID67315842
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-azaspiro[5.5]undecan-9-one;hydrochloride
SMILESCl.O=C1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H17NO.ClH/c12-9-1-3-10(4-2-9)5-7-11-8-6-10;/h11H,1-8H2;1H
InChIKeyFSPCKFWOMKQBEH-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-9-one;hydrochloride?
The IUPAC name of 3-azaspiro[5.5]undecan-9-one;hydrochloride (CID 67315842) is 3-azaspiro[5.5]undecan-9-one;hydrochloride.
What is the SMILES notation for 3-azaspiro[5.5]undecan-9-one;hydrochloride?
The canonical SMILES for 3-azaspiro[5.5]undecan-9-one;hydrochloride is Cl.O=C1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-9-one;hydrochloride?
The InChIKey is FSPCKFWOMKQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c12-9-1-3-10(4-2-9)5-7-11-8-6-10;/h11H,1-8H2;1H.
What are the key properties of 3-azaspiro[5.5]undecan-9-one;hydrochloride?
3-azaspiro[5.5]undecan-9-one;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-9-one;hydrochloride is sourced from PubChem (CID 67315842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).