1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride

C9H17ClN2O — CID 134819083

IUPAC1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride
SMILESCC(=O)N1CC2(CCNCC2)C1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-8(12)11-6-9(7-11)2-4-10-5-3-9;/h10H,2-7H2,1H3;1H
InChIKeyDDISJGSCDXTECG-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.64
Rot. Bonds

About 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride

1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride (PubChem CID 134819083) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride
PubChem CID134819083
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride
SMILESCC(=O)N1CC2(CCNCC2)C1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-8(12)11-6-9(7-11)2-4-10-5-3-9;/h10H,2-7H2,1H3;1H
InChIKeyDDISJGSCDXTECG-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride (CID 134819083) is 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride is CC(=O)N1CC2(CCNCC2)C1.Cl.
What is the InChIKey of 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride?
The InChIKey is DDISJGSCDXTECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-8(12)11-6-9(7-11)2-4-10-5-3-9;/h10H,2-7H2,1H3;1H.
What are the key properties of 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride?
1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 134819083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).