2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

C10H16ClNO3 — CID 13018232

IUPAC2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCC(Cl)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16ClNO3/c1-8(11)9(13)12-4-2-10(3-5-12)14-6-7-15-10/h8H,2-7H2,1H3
InChIKeyLMQNBWAGAJBQEE-UHFFFAOYSA-N
MW233.69 g/mol
LogP0.98
Rot. Bonds1

About 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 13018232) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID13018232
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCC(Cl)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16ClNO3/c1-8(11)9(13)12-4-2-10(3-5-12)14-6-7-15-10/h8H,2-7H2,1H3
InChIKeyLMQNBWAGAJBQEE-UHFFFAOYSA-N
XLogP0.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methoxypropan-1-one
CID 115588850
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
CID 71942740
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129494213
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829
2-bromo-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one
CID 131095930
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 20991583
2-chloro-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62986954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 13018232) is 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is CC(Cl)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is LMQNBWAGAJBQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c1-8(11)9(13)12-4-2-10(3-5-12)14-6-7-15-10/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 233.69 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 13018232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).