2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone

C11H18ClNO2 — CID 167746989

IUPAC2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
SMILESO=C(CCl)N1CCCCC12CCOCC2
InChIInChI=1S/C11H18ClNO2/c12-9-10(14)13-6-2-1-3-11(13)4-7-15-8-5-11/h1-9H2
InChIKeyQCVGCYUQTOFRTB-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.79
Rot. Bonds1

About 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone

2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone (PubChem CID 167746989) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
PubChem CID167746989
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
SMILESO=C(CCl)N1CCCCC12CCOCC2
InChIInChI=1S/C11H18ClNO2/c12-9-10(14)13-6-2-1-3-11(13)4-7-15-8-5-11/h1-9H2
InChIKeyQCVGCYUQTOFRTB-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone (CID 167746989) is 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone is O=C(CCl)N1CCCCC12CCOCC2.
What is the InChIKey of 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
The InChIKey is QCVGCYUQTOFRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c12-9-10(14)13-6-2-1-3-11(13)4-7-15-8-5-11/h1-9H2.
What are the key properties of 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone has a molecular weight of 231.72 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone is sourced from PubChem (CID 167746989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).