2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone

C10H16ClNO3 — CID 121203773

IUPAC2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(CCl)N1CCC2(CC(O)CCO2)C1
InChIInChI=1S/C10H16ClNO3/c11-6-9(14)12-3-2-10(7-12)5-8(13)1-4-15-10/h8,13H,1-7H2
InChIKeyMSZUMAIDUZVJRW-UHFFFAOYSA-N
MW233.69 g/mol
LogP0.37
Rot. Bonds1

About 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone

2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone (PubChem CID 121203773) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
PubChem CID121203773
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(CCl)N1CCC2(CC(O)CCO2)C1
InChIInChI=1S/C10H16ClNO3/c11-6-9(14)12-3-2-10(7-12)5-8(13)1-4-15-10/h8,13H,1-7H2
InChIKeyMSZUMAIDUZVJRW-UHFFFAOYSA-N
XLogP0.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-1-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129498595
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
CID 110203435
(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid
CID 129498148
2-(2-hydroxyethyl)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 121203771
(2S)-2-amino-1-[(4S,6S)-4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl]propan-1-one
CID 129495873
9-amino-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 121202469
4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide
CID 121202468
4-hydroxy-1-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 121203823
N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide
CID 121203782
2-amino-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129499564
2-cyclopentyloxy-1-[(5S,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 124785723
2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 155378174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone (CID 121203773) is 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone is O=C(CCl)N1CCC2(CC(O)CCO2)C1.
What is the InChIKey of 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is MSZUMAIDUZVJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c11-6-9(14)12-3-2-10(7-12)5-8(13)1-4-15-10/h8,13H,1-7H2.
What are the key properties of 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 233.69 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 121203773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).