(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

C17H20ClNO2 — CID 58237139

IUPAC(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(=O)[C@@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1
InChIInChI=1S/C17H20ClNO2/c1-12(20)13-4-3-7-17(11-13)8-9-19(16(17)21)15-6-2-5-14(18)10-15/h2,5-6,10,13H,3-4,7-9,11H2,1H3/t13-,17+/m1/s1
InChIKeyYVGNPKVBGCGOIB-DYVFJYSZSA-N
MW305.81 g/mol
LogP3.84
Rot. Bonds2

About (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one

(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58237139) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58237139
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(=O)[C@@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1
InChIInChI=1S/C17H20ClNO2/c1-12(20)13-4-3-7-17(11-13)8-9-19(16(17)21)15-6-2-5-14(18)10-15/h2,5-6,10,13H,3-4,7-9,11H2,1H3/t13-,17+/m1/s1
InChIKeyYVGNPKVBGCGOIB-DYVFJYSZSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
1-[2-(3-chlorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pentane-1,4-dione
CID 176914336
2-(3-chlorophenyl)-8-(2-pyrrolidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914378
7-amino-2-(3-methylphenyl)-2-azaspiro[4.5]decan-1-one
CID 70653883
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
(5R,7R)-7-acetyl-2-(6-chloropyrimidin-4-yl)-2-azaspiro[4.5]decan-1-one;(5R,7R)-7-acetyl-2-[6-(4-fluorophenyl)pyrimidin-4-yl]-2-azaspiro[4.5]decan-1-one
CID 158726799
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 122672568
(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid
CID 123255049
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
8-[tert-butyl(diphenyl)silyl]oxy-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 140874804

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one (CID 58237139) is (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is CC(=O)[C@@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1.
What is the InChIKey of (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is YVGNPKVBGCGOIB-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(20)13-4-3-7-17(11-13)8-9-19(16(17)21)15-6-2-5-14(18)10-15/h2,5-6,10,13H,3-4,7-9,11H2,1H3/t13-,17+/m1/s1.
What are the key properties of (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one?
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 305.81 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58237139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).