(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

C22H23FN2O2 — CID 169024055

IUPAC(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
SMILESCC1(C)C[C@]2(C=C(C#N)C1=O)CCN(C(=O)C1CCc3c(F)cccc31)C2
InChIInChI=1S/C22H23FN2O2/c1-21(2)12-22(10-14(11-24)19(21)26)8-9-25(13-22)20(27)17-7-6-16-15(17)4-3-5-18(16)23/h3-5,10,17H,6-9,12-13H2,1-2H3/t17?,22-/m1/s1
InChIKeyRLGNPFMSTKTRQT-IVAFLUGOSA-N
MW366.44 g/mol
LogP3.52
Rot. Bonds1

About (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

(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 (PubChem CID 169024055) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169024055
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(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
SMILESCC1(C)C[C@]2(C=C(C#N)C1=O)CCN(C(=O)C1CCc3c(F)cccc31)C2
InChIInChI=1S/C22H23FN2O2/c1-21(2)12-22(10-14(11-24)19(21)26)8-9-25(13-22)20(27)17-7-6-16-15(17)4-3-5-18(16)23/h3-5,10,17H,6-9,12-13H2,1-2H3/t17?,22-/m1/s1
InChIKeyRLGNPFMSTKTRQT-IVAFLUGOSA-N
XLogP3.52
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023966
(5S)-2-(3-cyano-4-fluorobenzoyl)-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024197
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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024117
2-[2-fluoro-2-(2-fluorophenyl)acetyl]-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162441800
(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-[6-(difluoromethyl)pyridine-3-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024011
(5S)-9,9-dimethyl-8-oxo-2-[2-(trifluoromethyl)pyridine-3-carbonyl]-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023931
(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
2-[2-fluoro-6-(trifluoromethyl)benzoyl]-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162441631
(5S)-2-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169023938
(5S)-9,9-dimethyl-8-oxo-2-[4-(trifluoromethyl)pyridine-3-carbonyl]-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
CID 169024174

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)C[C@]2(C=C(C#N)C1=O)CCN(C(=O)C1CCc3c(F)cccc31)C2.
What is the InChIKey of (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?
The InChIKey is RLGNPFMSTKTRQT-IVAFLUGOSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-21(2)12-22(10-14(11-24)19(21)26)8-9-25(13-22)20(27)17-7-6-16-15(17)4-3-5-18(16)23/h3-5,10,17H,6-9,12-13H2,1-2H3/t17?,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 366.44 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169024055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).