2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone

C10H16ClNO2 — CID 155378174

IUPAC2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESO=C(CCl)N1CC2(CCC(O)CC2)C1
InChIInChI=1S/C10H16ClNO2/c11-5-9(14)12-6-10(7-12)3-1-8(13)2-4-10/h8,13H,1-7H2
InChIKeyFXIKWMXCWJMJRZ-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.99
Rot. Bonds1

About 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone

2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 155378174) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone
PubChem CID155378174
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESO=C(CCl)N1CC2(CCC(O)CC2)C1
InChIInChI=1S/C10H16ClNO2/c11-5-9(14)12-6-10(7-12)3-1-8(13)2-4-10/h8,13H,1-7H2
InChIKeyFXIKWMXCWJMJRZ-UHFFFAOYSA-N
XLogP0.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroacetyl)-2-azaspiro[4.5]decane-8-carboxylic acid
CID 71649547
1-[8-(bromomethyl)-2-azaspiro[4.5]decan-2-yl]-2-chloroethanone
CID 71646498
1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
CID 97168789
(5S,8S)-2-(2-chloroacetyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 97169116
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-chloroethanone
CID 14331
2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
CID 121203773
1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol
CID 174062555
tert-butyl 7-(2-chloroacetyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 172876279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone (CID 155378174) is 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone is O=C(CCl)N1CC2(CCC(O)CC2)C1.
What is the InChIKey of 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is FXIKWMXCWJMJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c11-5-9(14)12-6-10(7-12)3-1-8(13)2-4-10/h8,13H,1-7H2.
What are the key properties of 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone?
2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 217.70 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 155378174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).