2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride

C9H17ClN2O — CID 126847364

IUPAC2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCN1CC2(CCCNC2)CC1=O.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-11-7-9(5-8(11)12)3-2-4-10-6-9;/h10H,2-7H2,1H3;1H
InChIKeyRRDJESWEHBBZPX-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.64
Rot. Bonds

About 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride

2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 126847364) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID126847364
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCN1CC2(CCCNC2)CC1=O.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-11-7-9(5-8(11)12)3-2-4-10-6-9;/h10H,2-7H2,1H3;1H
InChIKeyRRDJESWEHBBZPX-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 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride (CID 126847364) is 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride is CN1CC2(CCCNC2)CC1=O.Cl.
What is the InChIKey of 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is RRDJESWEHBBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-11-7-9(5-8(11)12)3-2-4-10-6-9;/h10H,2-7H2,1H3;1H.
What are the key properties of 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride?
2-methyl-2,9-diazaspiro[4.5]decan-3-one;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 2-methyl-2,9-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 126847364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).