2,9-diazaspiro[4.6]undecan-3-one;hydrochloride

C9H17ClN2O — CID 118385513

IUPAC2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
SMILESCl.O=C1CC2(CCCNCC2)CN1
InChIInChI=1S/C9H16N2O.ClH/c12-8-6-9(7-11-8)2-1-4-10-5-3-9;/h10H,1-7H2,(H,11,12);1H
InChIKeyLSZSTROGQHWHHP-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.69
Rot. Bonds

About 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride

2,9-diazaspiro[4.6]undecan-3-one;hydrochloride (PubChem CID 118385513) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride.

Molecular Properties

Compound Name2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
PubChem CID118385513
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
SMILESCl.O=C1CC2(CCCNCC2)CN1
InChIInChI=1S/C9H16N2O.ClH/c12-8-6-9(7-11-8)2-1-4-10-5-3-9;/h10H,1-7H2,(H,11,12);1H
InChIKeyLSZSTROGQHWHHP-UHFFFAOYSA-N
XLogP0.69
TPSA41.13 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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Azepan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one
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2,8-Diazaspiro[4.6]undecan-3-one
CID 118385514
2-(Azepan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one hydrochloride
CID 119031731
(4-Fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone
CID 84723655
4-Ethyl-4-(2-methylpropyl)pyrrolidin-2-one
CID 11435177
4-Methyl-4-(2-methylpropyl)pyrrolidin-2-one
CID 11815970
4-(4-Aminobutyl)-4-methylpyrrolidin-2-one
CID 18338292
4-Butyl-4-ethylpyrrolidin-2-one
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CID 66106736

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride?
The IUPAC name of 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride (CID 118385513) is 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride.
What is the SMILES notation for 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride?
The canonical SMILES for 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride is Cl.O=C1CC2(CCCNCC2)CN1.
What is the InChIKey of 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride?
The InChIKey is LSZSTROGQHWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c12-8-6-9(7-11-8)2-1-4-10-5-3-9;/h10H,1-7H2,(H,11,12);1H.
What are the key properties of 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride?
2,9-diazaspiro[4.6]undecan-3-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.6]undecan-3-one;hydrochloride is sourced from PubChem (CID 118385513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).