1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone

C12H20ClNO — CID 167588263

IUPAC1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCCC2(CCCC2)CC1
InChIInChI=1S/C12H20ClNO/c13-10-11(15)14-8-3-6-12(7-9-14)4-1-2-5-12/h1-10H2
InChIKeyJIERMMZGYJUNCQ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.80
Rot. Bonds1

About 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone

1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone (PubChem CID 167588263) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
PubChem CID167588263
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCCC2(CCCC2)CC1
InChIInChI=1S/C12H20ClNO/c13-10-11(15)14-8-3-6-12(7-9-14)4-1-2-5-12/h1-10H2
InChIKeyJIERMMZGYJUNCQ-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
6-azaspiro[2.6]nonane-6-carbonyl chloride
CID 155822544
1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
8-azaspiro[4.5]decan-8-yl(pyrrolidin-1-yl)methanone
CID 115642029
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl carbamate
CID 175316865
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
2-chloro-1-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107453818
2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 71646509
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone?
The IUPAC name of 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone (CID 167588263) is 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone.
What is the SMILES notation for 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone?
The canonical SMILES for 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone is O=C(CCl)N1CCCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone?
The InChIKey is JIERMMZGYJUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-10-11(15)14-8-3-6-12(7-9-14)4-1-2-5-12/h1-10H2.
What are the key properties of 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone?
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone has a molecular weight of 229.75 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone is sourced from PubChem (CID 167588263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).