7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride

C9H17ClN2O — CID 170913743

IUPAC7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.NC1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C9H16N2O.ClH/c10-7-2-1-3-9(4-7)5-8(12)11-6-9;/h7H,1-6,10H2,(H,11,12);1H
InChIKeyAYEPVMBXWAJRHT-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.82
Rot. Bonds

About 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride

7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 170913743) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride
PubChem CID170913743
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.NC1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C9H16N2O.ClH/c10-7-2-1-3-9(4-7)5-8(12)11-6-9;/h7H,1-6,10H2,(H,11,12);1H
InChIKeyAYEPVMBXWAJRHT-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride (CID 170913743) is 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride is Cl.NC1CCCC2(CNC(=O)C2)C1.
What is the InChIKey of 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is AYEPVMBXWAJRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c10-7-2-1-3-9(4-7)5-8(12)11-6-9;/h7H,1-6,10H2,(H,11,12);1H.
What are the key properties of 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride?
7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 170913743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).