9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione

C22H27NO3 — CID 23736504

IUPAC9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
SMILESC=CC1C(=C(C)C)C(C)CC12CC(=O)N(c1ccc(OCC)cc1)C2=O
InChIInChI=1S/C22H27NO3/c1-6-18-20(14(3)4)15(5)12-22(18)13-19(24)23(21(22)25)16-8-10-17(11-9-16)26-7-2/h6,8-11,15,18H,1,7,12-13H2,2-5H3
InChIKeyRUXKDPQWZZLURE-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.51
Rot. Bonds4

About 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione

9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 23736504) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID23736504
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
SMILESC=CC1C(=C(C)C)C(C)CC12CC(=O)N(c1ccc(OCC)cc1)C2=O
InChIInChI=1S/C22H27NO3/c1-6-18-20(14(3)4)15(5)12-22(18)13-19(24)23(21(22)25)16-8-10-17(11-9-16)26-7-2/h6,8-11,15,18H,1,7,12-13H2,2-5H3
InChIKeyRUXKDPQWZZLURE-UHFFFAOYSA-N
XLogP4.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3,3-bis(2-hydroxyethylsulfanyl)pyrrolidine-2,5-dione
CID 87926065
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CID 7279670
(1R,2S,6R,7S)-4-(4-ethoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11880247
1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione
CID 43437363
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
(3aR,7aR)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 872279
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2853944
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23972675
(3S)-1-(4-ethoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 6937331
3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 596451

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione (CID 23736504) is 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione is C=CC1C(=C(C)C)C(C)CC12CC(=O)N(c1ccc(OCC)cc1)C2=O.
What is the InChIKey of 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is RUXKDPQWZZLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-6-18-20(14(3)4)15(5)12-22(18)13-19(24)23(21(22)25)16-8-10-17(11-9-16)26-7-2/h6,8-11,15,18H,1,7,12-13H2,2-5H3.
What are the key properties of 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 353.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 23736504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).