1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one

C12H20ClNO — CID 130164939

IUPAC1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
SMILESCC(Cl)C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C12H20ClNO/c1-10(13)11(15)14-8-7-12(9-14)5-3-2-4-6-12/h10H,2-9H2,1H3
InChIKeyCGMYOSGMLKPGHD-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.80
Rot. Bonds1

About 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one

1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one (PubChem CID 130164939) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one.

Molecular Properties

Compound Name1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
PubChem CID130164939
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
SMILESCC(Cl)C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C12H20ClNO/c1-10(13)11(15)14-8-7-12(9-14)5-3-2-4-6-12/h10H,2-9H2,1H3
InChIKeyCGMYOSGMLKPGHD-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-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
CID 130516375
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129494213
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
N-[1-(2-azaspiro[4.5]decan-2-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014781
N,N-diethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 113242675
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
3-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-3-oxopropanoic acid
CID 114898383
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one?
The IUPAC name of 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one (CID 130164939) is 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one.
What is the SMILES notation for 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one?
The canonical SMILES for 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one is CC(Cl)C(=O)N1CCC2(CCCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one?
The InChIKey is CGMYOSGMLKPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-10(13)11(15)14-8-7-12(9-14)5-3-2-4-6-12/h10H,2-9H2,1H3.
What are the key properties of 1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one?
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one 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-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one is sourced from PubChem (CID 130164939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).