(5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile

C24H27ClN2O3 — CID 169024119

IUPAC(5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
SMILESCC1(C)C[C@]2(C=C(C#N)C1=O)CCN(C(=O)C1(c3ccc(Cl)cc3)CCOCC1)C2
InChIInChI=1S/C24H27ClN2O3/c1-22(2)15-23(13-17(14-26)20(22)28)7-10-27(16-23)21(29)24(8-11-30-12-9-24)18-3-5-19(25)6-4-18/h3-6,13H,7-12,15-16H2,1-2H3/t23-/m1/s1
InChIKeyNVJJEBIDMNYNTC-HSZRJFAPSA-N
MW426.94 g/mol
LogP4.06
Rot. Bonds2

About (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile

(5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile (PubChem CID 169024119) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile.

Molecular Properties

Compound Name(5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
PubChem CID169024119
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name(5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
SMILESCC1(C)C[C@]2(C=C(C#N)C1=O)CCN(C(=O)C1(c3ccc(Cl)cc3)CCOCC1)C2
InChIInChI=1S/C24H27ClN2O3/c1-22(2)15-23(13-17(14-26)20(22)28)7-10-27(16-23)21(29)24(8-11-30-12-9-24)18-3-5-19(25)6-4-18/h3-6,13H,7-12,15-16H2,1-2H3/t23-/m1/s1
InChIKeyNVJJEBIDMNYNTC-HSZRJFAPSA-N
XLogP4.06
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 162442130
(5S)-2-(3-cyano-4-fluorobenzoyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024197
(7Z)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-5,5-dimethyl-6-oxo-3,4,9,10-tetrahydro-2H-azecine-7-carbonitrile
CID 170113617
(5S)-9,9-dimethyl-8-oxo-2-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024117
(5R)-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023966
(5S)-7-amino-2-[[4-(4-chlorophenyl)oxan-4-yl]-hydroxymethyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442075
(5S)-2-(2,2-difluoro-2-pyrimidin-2-ylacetyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023958
(5R)-2-(4-fluoro-2,3-dihydro-1H-indene-1-carbonyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024055
(5R)-9,9-dimethyl-8-oxo-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024082
(5R)-2-[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024025
2-(cyclobutanecarbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162442103
(5S)-9,9-dimethyl-8-oxo-2-[2-(trifluoromethyl)pyridine-3-carbonyl]-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023931

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The IUPAC name of (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile (CID 169024119) is (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile.
What is the SMILES notation for (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The canonical SMILES for (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile is CC1(C)C[C@]2(C=C(C#N)C1=O)CCN(C(=O)C1(c3ccc(Cl)cc3)CCOCC1)C2.
What is the InChIKey of (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The InChIKey is NVJJEBIDMNYNTC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-22(2)15-23(13-17(14-26)20(22)28)7-10-27(16-23)21(29)24(8-11-30-12-9-24)18-3-5-19(25)6-4-18/h3-6,13H,7-12,15-16H2,1-2H3/t23-/m1/s1.
What are the key properties of (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
(5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile has a molecular weight of 426.94 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[4-(4-chlorophenyl)oxane-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile is sourced from PubChem (CID 169024119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).