1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C9H18Cl2N2O — CID 75531088

IUPAC1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCN1C(=O)CCC12CCNCC2.Cl.Cl
InChIInChI=1S/C9H16N2O.2ClH/c1-11-8(12)2-3-9(11)4-6-10-7-5-9;;/h10H,2-7H2,1H3;2*1H
InChIKeyAGUXJZVKQYOFKY-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.20
Rot. Bonds

About 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride

1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 75531088) has the molecular formula C9H18Cl2N2O and a molecular weight of 241.16 g/mol. Its IUPAC name is 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

Compound Name1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
PubChem CID75531088
Molecular FormulaC9H18Cl2N2O
Molecular Weight241.16 g/mol
Exact Mass240.08
IUPAC Name1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCN1C(=O)CCC12CCNCC2.Cl.Cl
InChIInChI=1S/C9H16N2O.2ClH/c1-11-8(12)2-3-9(11)4-6-10-7-5-9;;/h10H,2-7H2,1H3;2*1H
InChIKeyAGUXJZVKQYOFKY-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-Diazaspiro[4.5]decan-3-one
CID 54596077
4-(Piperidin-4-yl)pyrrolidin-2-one
CID 75481059
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
1,8-Diazaspiro(4.5)decan-2-one
CID 22291232
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
tert-Butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 71305906
1,8-Diazaspiro[4.5]decan-2-one dihydrochloride
CID 75531076
(3S)-3-methyl-2,8-diazaspiro(4.5)decan-1-one
CID 124672489
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074134
2,6-Diazaspiro(4.5)decan-1-one hydrochloride
CID 55263338
2,7-Diazaspiro[4.5]decan-3-one hydrochloride
CID 73554841
4-Methyl-1-(pyrrolidine-3-carbonyl)piperidine hydrochloride
CID 75419424

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The IUPAC name of 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 75531088) is 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride.
What is the SMILES notation for 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The canonical SMILES for 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride is CN1C(=O)CCC12CCNCC2.Cl.Cl.
What is the InChIKey of 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The InChIKey is AGUXJZVKQYOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2ClH/c1-11-8(12)2-3-9(11)4-6-10-7-5-9;;/h10H,2-7H2,1H3;2*1H.
What are the key properties of 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 241.16 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 75531088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).