8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

C15H17ClN4O — CID 122672568

IUPAC8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILES[N-]=[N+]=NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C15H17ClN4O/c16-11-2-1-3-13(10-11)20-9-8-15(14(20)21)6-4-12(5-7-15)18-19-17/h1-3,10,12H,4-9H2
InChIKeyMXVDJRYCQQKYNY-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.32
Rot. Bonds2

About 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 122672568) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID122672568
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILES[N-]=[N+]=NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C15H17ClN4O/c16-11-2-1-3-13(10-11)20-9-8-15(14(20)21)6-4-12(5-7-15)18-19-17/h1-3,10,12H,4-9H2
InChIKeyMXVDJRYCQQKYNY-UHFFFAOYSA-N
XLogP4.32
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 159763896
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139
1-[2-(3-chlorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pentane-1,4-dione
CID 176914336
8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 140874804
2-(3-chlorophenyl)-8-(2-pyrrolidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914378
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914329
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122672262
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843838
7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one
CID 70653883
1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 122672440

Frequently Asked Questions

What is the IUPAC name of 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (CID 122672568) is 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is [N-]=[N+]=NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is MXVDJRYCQQKYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-11-2-1-3-13(10-11)20-9-8-15(14(20)21)6-4-12(5-7-15)18-19-17/h1-3,10,12H,4-9H2.
What are the key properties of 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 304.78 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 122672568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).