1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone

C10H17ClN2O — CID 97168789

IUPAC1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
SMILESN[C@H]1CC[C@]2(CCN(C(=O)CCl)C2)C1
InChIInChI=1S/C10H17ClN2O/c11-6-9(14)13-4-3-10(7-13)2-1-8(12)5-10/h8H,1-7,12H2/t8-,10-/m0/s1
InChIKeyFWNCVNBGPLQFQV-WPRPVWTQSA-N
MW216.71 g/mol
LogP0.96
Rot. Bonds1

About 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone

1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone (PubChem CID 97168789) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone.

Molecular Properties

Compound Name1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
PubChem CID97168789
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
SMILESN[C@H]1CC[C@]2(CCN(C(=O)CCl)C2)C1
InChIInChI=1S/C10H17ClN2O/c11-6-9(14)13-4-3-10(7-13)2-1-8(12)5-10/h8H,1-7,12H2/t8-,10-/m0/s1
InChIKeyFWNCVNBGPLQFQV-WPRPVWTQSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.96
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-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 97168946
(5S,8S)-2-(2-chloroacetyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 97169116
1-[8-(bromomethyl)-2-azaspiro[4.5]decan-2-yl]-2-chloroethanone
CID 71646498
2-(2-chloroacetyl)-2-azaspiro[4.5]decane-8-carboxylic acid
CID 71649547
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
(2S)-2-amino-1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373055
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084178
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
2-chloro-1-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 155378174
2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
CID 71649157
(2S)-2-amino-1-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373047
2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 98089074

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone?
The IUPAC name of 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone (CID 97168789) is 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone.
What is the SMILES notation for 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone?
The canonical SMILES for 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone is N[C@H]1CC[C@]2(CCN(C(=O)CCl)C2)C1.
What is the InChIKey of 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone?
The InChIKey is FWNCVNBGPLQFQV-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-6-9(14)13-4-3-10(7-13)2-1-8(12)5-10/h8H,1-7,12H2/t8-,10-/m0/s1.
What are the key properties of 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone?
1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone has a molecular weight of 216.71 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone is sourced from PubChem (CID 97168789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).